NMR Spectral Data (nmr + spectral_data)

Distribution by Scientific Domains


Selected Abstracts


Synthesis and spectral studies of diorganotin heterocyclic dithiocarbamate complexes and crystal structures of (2- F -Bz)2Sn(Cl) S2CN(CH2CH2)2NEt and (3- Cl -Bz)2Sn [S2CN(CH2CH2)2NEt]2 , 0.5HN(CH2CH2)2NH

HETEROATOM CHEMISTRY, Issue 4 2005
Shengcai Xue
Some new diorganotin(IV) complexes of heterocyclic dithiocarbamate having general formula R2Sn(Cl)S2CNR'2 and R2Sn(S2CNR'2)2 [R = 2-F-Bz, 3-Cl-Bz; NR'2 = N(CH2CH2)2NMe, N(CH2CH2)2NEt, and N(CH2CH2)2NBz] have been prepared, respectively. Elemental analyses, IR, and NMR spectral data characterized all compounds. The crystal structures of (2-F-Bz)2Sn(Cl)S2CN(CH2CH2)2NEt 2 and (3-Cl-Bz)2Sn[S2CN(CH2CH2)2NEt]2 , 0.5 HN(CH2CH2)2NH 5 were determined by single crystal X-ray diffractometer. In the crystal of complex 2, the tin atom is rendered five-coordination in a trigonal bipyramidal configuration by coordinating with S atoms of dithiocarbamate groups. For complex 5, the central Sn atom exists in a skew-trapezoidal planar geometry defined by two asymmetrically coordinated dithiocarbamate ligands and two 3-chlorobenzyl groups. 2005 Wiley Periodicals, Inc. 16:271,277, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20096 [source]


Synthesis and characterization of novel Schiff base polyurethanes,

JOURNAL OF APPLIED POLYMER SCIENCE, Issue 5 2009
A. V. Raghu
Abstract Eight different types of novel polyurethanes (PUs) were synthesized through the polyaddition reaction of 4,4,-(ethane-1,2-diylidenedinitrilo)diphenol and 4,4,-(pentane-1,5-diylidenedinitrilo)diphenol with four different diisocyanates: 4,4,-diphenylmethane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate, and hexamethylene diisocyanate. The resulting PUs were soluble in polar, aprotic solvents. Structures of the diols and PUs were established with ultraviolet,visible, fluorescence, Fourier transform infrared (FTIR), 1H-NMR, and 13C-NMR spectroscopy data. FTIR and NMR spectral data indicated the disappearance of both hydroxyl and isocyanate groups in the PUs. The thermal properties were investigated with thermogravimetry and differential scanning calorimetry. The weight losses, glass transitions, onset temperatures, and crystalline melting temperatures were measured. All the PUs exhibited semicrystalline and amorphous morphologies, as indicated by X-ray diffraction. 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009. [source]


Synthesis and comparative physicochemical investigation of partly aromatic cardo copolyesters

JOURNAL OF APPLIED POLYMER SCIENCE, Issue 4 2007
N. B. Joshi
Abstract Copolyesters were synthesized through the condensation of 0.0025 mol of 1,1,-bis(3-methyl-4-hydroxyphenyl)cyclohexane, 0.0025 mol of ethylene glycol/propylene glycol/1,4-butanediol/1,6-hexane diol, and 0.005 mol of terephthaloyl chloride with water/chloroform (4:1 v/v) as an interphase, 0.0125 mol of sodium hydroxide as an acid acceptor, and 50 mg of cetyl trimethyl ammonium bromide as an emulsifier. The reaction time and temperature were 2 h and 0C, respectively. The yields of the copolyesters were 81,96%. The structures of the copolyesters were supported by Fourier transform infrared and 1H-NMR spectral data and were characterized with the solution viscosity and density by a floatation method (1.1011,1.2697 g/cm3). Both the intrinsic viscosity and density of the copolyesters decreased with the nature and alkyl chain length of the diol. The copolyesters possessed fairly good hydrolytic stability against water and 10% solutions of acids, alkalis, and salts at room temperature. The copolyesters possessed moderate-to-good tensile strength (11,37.5 MPa), good-to-excellent electric strength (19,45.6 kV/mm), excellent volume resistivity (3.8 1015 to 2.56 1017 , cm), and high glass-transition temperatures (148,195C) and were thermally stable up to about 408,427C in a nitrogen atmosphere; they followed single-step degradation kinetics involving 38,58% weight losses and 34,59% residues. The copolyesters followed 2.6,2.9-order degradation kinetics. 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007 [source]


Piperidine mediated synthesis of n -heterocyclic chalcones and their antibacterial activity

JOURNAL OF HETEROCYCLIC CHEMISTRY, Issue 1 2010
P. Venkatesan
The chalcones 1-(2,-hydroxy-aryl)-3-(1-indol-3-yl)-prop-2-en-1-one (3) and 1-(2,-hydroxy-aryl)-3-(2-chloroquinolin-3-yl)-prop-2-en-1-one (6) were synthesised by piperidine mediated condensation of an ethanolic solution of an o -hydroxyacetophenone (1) with corresponding heteroaryl-3-carboxaldehyde. The structures have been established on the basis of elemental (C, H, N) analysis, UV, IR, 1H NMR spectral data. The compounds 3 and 6 were screened for antimicrobial activities against a variety of bacterial agents. J. Heterocyclic Chem., 2010. [source]


Synthesis of 5-substituted uracils and 2,4-dimethoxypyrimidines by wittig olefination

JOURNAL OF HETEROCYCLIC CHEMISTRY, Issue 6 2005
Evdoxia Coutouli-Argyropoulou
A variety of new 5-alkenyluracils has been prepared in high yields by Wittig olefination of 5-formyl-1-octy-luracil, 5-formyl-1,3-dioctyluracil and 5-formyl-2,4-dimethoxy pyrimidine with stabilized and semistabi-lized phosphorus ylides. The conformation of the products is discussed on the basis of 1H NMR spectral data. [source]


Complete assignments of 1H and 13C NMR spectral data for 7,7,-dihydroarylnaphthalene lignan lactones

MAGNETIC RESONANCE IN CHEMISTRY, Issue 6 2009
Rosangela da Silva
Abstract In this article we present a complete 1H and 13C NMR spectral analysis of three 7,7,-dihydroarylnaphthalene lignan lactones using modern NMR techniques such as COSY, HSQC, HMBC and NOE experiments. Complete assignment and homonuclear hydrogen coupling constant measurements were performed. Copyright 2009 John Wiley & Sons, Ltd. [source]


Complete assignments of 1H and 13C NMR spectral data for three new triterpenoid saponins from Ilex hainanensis Merr.

MAGNETIC RESONANCE IN CHEMISTRY, Issue 2 2009
Xiao-Qing Chen
Abstract Three new oleanane-type triterpenoid saponins, ilexhainanoside C, D and E, all with 24, 28-dioic acid groups, were isolated from the leaves of Ilex hainanensis. They were 3,-hydroxyolean-12-ene-24, 28-dioic acid-28- O -,- D -glucopyranoside(1), 3,, 19,-dihydroxyolean-12-ene-24, 28-dioic acid-28- O -,- D -glucopyranoside(2) and 3,, 29-dihydroxyolean-12-ene-24, 28-dioic acid-28- O -,- D -glucopyranoside(3). The structures of these three new compounds were elucidated and complete assignments of the 1H and 13C NMR spectroscopic data were achieved by 1D and 2D NMR experiments [heteronuclear single quantum coherence (HSQC), HMBC and rotational nuclear Overhauser effect spectroscopy (ROESY)]. Copyright 2008 John Wiley & Sons, Ltd. [source]


1H and 13C NMR spectral assignments of some novel 2,4,6,8-tetraaryl-3,7-diazabicyclo[3.3.1]nonan-9-one derivatives

MAGNETIC RESONANCE IN CHEMISTRY, Issue 8 2008
Paramasivam Parthiban
Abstract The 1H and 13C NMR spectra of 2,4,6,8-tetraaryl-3,7-diazabicyclo[3.3.1]nonan-9-ones (1,2), oximes (3,8) and O -benzyl oximes (9,12) were recorded. The chemical shifts were unambiguously assigned using 1D and 2D NMR spectral data. The results clearly indicate that the compounds exist in chair-boat conformation with equatorial and axial orientation of the aryl groups in the chair and boat forms, respectively. Since the molecules are flexible and dynamic in solution, the chair and boat forms are mutually interconvertible. In 3,12, because of the effect of oximation/oximination, all the protons in the heterobicyclic systems gave distinct signals except the benzylic protons of the boat form. In all synthesized compounds, the aryl group protons at C-6,8 are shielded by the aryl groups at C-2,4 and therefore appear in the lower frequency region than the aryl groups at C-2,4. Copyright 2008 John Wiley & Sons, Ltd. [source]


1H and 13C NMR spectral data of new saponins from Cordia piauhiensis

MAGNETIC RESONANCE IN CHEMISTRY, Issue 8 2007
Renata P. Santos
Abstract Two new bidesmoside triterpenoid saponins were isolated from stems of Cordia piauhiensis. Their structures, characterized as 3- O -,- L -rhamnopyranosyl-(1 , 2)-,- D -glucopyranosyl pomolic acid 28- O -,- D -glucopyranosyl ester (1) and 3- O -,- L -rhamnopyranosyl-(1 , 2)-,- D -glucopyranosyl oleanolic acid 28- O -,- D -glucopyranosyl-(1 , 6)-,- D -glucopyranosyl ester (2), were unequivocally established after extensive NMR (1H, 13C, DEPT 135 , COSY, HSQC, HMBC, TOCSY, and NOESY) studies. Copyright 2007 John Wiley & Sons, Ltd. [source]


Structural determination of a new 2(3 , 20)abeotaxane with an unusual 13,-substitution pattern and a new 6/8/6-ring taxane from Taxus cuspidata

MAGNETIC RESONANCE IN CHEMISTRY, Issue 6 2007
Changhong Huo
Abstract A new 2(3 , 20)abeotaxane with an unusual 13,-substitution pattern and a new 6/8/6-ring taxane were isolated from the methanol extract of the needles of Taxus cuspidata. The structures were established as 2,,7,-diacetoxy-5,,10,,13,-trihydroxy-2(3 , 20)abeotaxa-4(20), 11-dien-9-one (1) and 2,,5,,7,,9,,13,-pentahydroxy-10,-acetoxytaxa-4(20),11-diene (2) on the basis of 1D and 2D NMR spectral data and high-resolution FAB-MS analyses. Copyright 2007 John Wiley & Sons, Ltd. [source]


Complete 1H and 13C NMR assignments of the epimeric menthane-1-carboxylic acids,

MAGNETIC RESONANCE IN CHEMISTRY, Issue 3 2007
Debra K. Dillner
Abstract Complete NMR analyses with full assignments for 1H and 13C NMR spectral data for both epimers of menthane-1-carboxylic acid are described. The NMR properties of the recently synthesized axial isomer had not been previously described, and through use of a variety of 1D and 2D techniques, additional information is provided for the equatorial isomer. As well as assignments of chemical shifts, homonuclear coupling constants were determined for the equatorial isomer and most of coupling constants were measured for the axial isomer. Published in 2007 by John Wiley & Sons, Ltd. [source]


Assignments of 1H and 13C NMR spectral data for ondansetron and its two novel metabolites, 1-hydroxy-ondansetron diastereoisomers

MAGNETIC RESONANCE IN CHEMISTRY, Issue 10 2006
Mingyu Duan
Abstract Assignments of 1H and 13C NMR chemical shifts were made by means of heteronuclear single quantum coherence (HSQC) and heteronuclear multiple bond correlation (HMBC) experiments for ondansetron, and by means of 1H- 1H correlation spectroscopy (1H- 1H COSY) and two-dimensional nuclear Overhauser effect spectroscopy (NOESY) experiments for two novel metabolites (M1 and M2) of ondansetron. These two metabolites were isolated for the first time from Mucor circinelloides. Copyright 2006 John Wiley & Sons, Ltd. [source]


1H and 13C NMR spectral data for a tricyclic derivative of a Diels,Alder adduct

MAGNETIC RESONANCE IN CHEMISTRY, Issue 1 2006
Susimaire Pedersoli
Abstract A complete NMR analysis with full assignment for 1H and 13C NMR spectral data for 5-(acetyloxy)-3-hydroxy-9,10-dimethoxy-6-oxo-11-oxatricyclo[6.2.1.02,7]undec-2-yl acetate (8) is described. This compound was prepared by rapid hydrogenation of the unstable Diels,Alder adduct obtained from the reaction between 3,4-dimethoxyfuran (4) and 2,5-diacetoxy-1,4-benzoquinone (5). Full homonuclear hydrogen coupling constants measurements and molecular mechanics calculations were performed for the determination of the relative stereochemistry. Copyright 2005 John Wiley & Sons, Ltd. [source]


Stereochemical analysis of N -cyclohexylidene- N -(1-phenylethyl)amine derivatives

MAGNETIC RESONANCE IN CHEMISTRY, Issue 12 2005
Armando Ariza-Castolo
Abstract The configurational properties of a series of cyclohexylidene imines are discussed on the basis of their 1H, 13C and 15N NMR spectral data. Copyright 2005 John Wiley & Sons, Ltd. [source]


Complete assignments of 1H and 13C NMR spectral data for benzylidenebenzyl butyrolactone lignans

MAGNETIC RESONANCE IN CHEMISTRY, Issue 11 2005
Rosangela da Silva
Abstract The structures of three benzylidenebenzyl butyrolactone lignans (gossypifan, carthamogenin, and savinin) have been established on basis of 1H NMR and 13C NMR spectroscopic data. The 1H NMR and 13C NMR spectra of these lignans have been fully assigned by the use of techniques such as gCOSY, non-edited gHSQC, and gHMBC. Complete assignment and most homonuclear hydrogen coupling constant measurements were performed, also providing enough data for the determination of the relative stereochemistry. Copyright 2005 John Wiley & Sons, Ltd. [source]


Synthesis and NMR spectral study of some t(3)-aryl- r(2),c(4)-bisethoxycarbonyl- t(5)-hydroxy- c(5)-methylcyclohexanones

MAGNETIC RESONANCE IN CHEMISTRY, Issue 5 2005
K. Pandiarajan
Abstract Six t(3)-aryl- r(2),c(4)-bisethoxycarbonyl- t(5)-hydroxy- c(5)-methylcyclohexanones (6,11) were synthesized by condensing ArCHO (Ar = Ph, p -O2NC6H4, p -CH3OC6H4, p -ClC6H4, m -O2NC6H4 and m -C6H5O6H4) with ethyl acetoacetate in the presence of methylamine and their 1H and 13C NMR spectra were recorded. 1H,1H COSY and NOESY spectra were recorded for 6 and 7 and also HSQC and HMBC spectra for 6 and 8. Elemental analysis was carried out for all compounds. The mass spectrum was recorded for 8. All analytical data are consistent with the proposed molecular formulae. Analysis of NMR spectral data suggests that these compounds largely adopt chair conformations with the hydroxyl group occupying an axial orientation and all the other substituents occupying equatorial orientations. Long-range coupling (2,3 Hz) between the OH proton and the axial methylene proton at C-6 is observed in 6, 7, 8 and 11. Copyright 2005 John Wiley & Sons, Ltd. [source]


Detailed assignments of 1H and 13C NMR spectral data of 13 ,-substituted cycloenones

MAGNETIC RESONANCE IN CHEMISTRY, Issue 4 2005
Mauricio Gomes Constantino
Abstract Detailed assignments of 1H and 13C NMR spectral data for 13 ,-substituted cycloenones are reported. The assignments are based on 1D 1H and 13C NMR and on 2D shift-correlated (1H,13C-HMQC and HMBC), J -resolved and COSY and double irradiation experiments. Copyright 2005 John Wiley & Sons, Ltd. [source]


Synthesis and structure elucidation of bromination products from dibromohomobenzonorbornadienes: high temperature bromination,Part 17,

MAGNETIC RESONANCE IN CHEMISTRY, Issue 1 2005
Cavit Kazaz
Abstract The electrophilic addition of bromine to dibromohomobenzonorbornadiene derivatives at ,45 5C led to the formation of the rearranged and non-rearranged tetrabromides in a ratio of 6:4. However, high-temperature bromination of the same system in CCl4 at 77C produced only non-rearranged products. The formation mechanism of the isomers and the role of the substituent on the rearrangement is discussed. The structure elucidation of the isomeric tetrabromides was achieved from NMR spectral data. The agreement between the calculated dihedral angles and the measured coupling constants is especially excellent. The ,-gauche effect is discussed. Copyright 2004 John Wiley & Sons, Ltd. [source]


Assignment of 1H and 13C NMR data for diethyl 2- and 8-quinolylmethylphosphonates and their palladium(II) dihalide complexes

MAGNETIC RESONANCE IN CHEMISTRY, Issue 11 2003
eljko Marini
Abstract 1H and 13C NMR spectral data for diethyl 2- and 8-quinolylmethylphosphonates (L) and their palladium(II) dihalide complexes, trans -[PdL2X2] (L = 2-dqmp, 8-dqmp; X = Cl, Br), are presented. The NMR analysis was performed on the basis of one- and two-dimensional homo- and heteronuclear experiments including 1H, 13C, APT, 1H,1H COSY, 1H,13C COSY, HMQC and HMBC techniques. Copyright 2003 John Wiley & Sons, Ltd. [source]


Dolichandroside A, a new , -glucosidase inhibitor and DPPH free-radical Scavenger from Dolichandrone falcata seem

PHYTOTHERAPY RESEARCH, Issue 4 2009
P. Aparna
Abstract A new phenylpropanoid glycoside, dolichandroside-A, together with seven known compounds , -lapachone, lapachol, aloesaponarin II, 8-hydroxydehydroiso- , -lapachone, , -sitosterol, 3,8-dihydroxydehydroiso- , -lapachone and verbascoside were isolated from the active ethyl acetate soluble extract of heartwood of Dolichandrone falcata. All except for dolichandroside-A are known compounds, but have been isolated for the first time from this plant. The structure of all these compounds was determined on the basis of 1D- and 2D-NMR spectral data. All the isolates were tested for , -glucosidase inhibitory and DPPH radical scavenging activity. This is the first report identifying DPPH scavenging activity and , -glucosidase inhibitory activity in D. falcata. Furthermore, along with a new compound, dolichandroside-A, this study also assigns for the first time , -glucosidase inhibitory activity to verbascoside and aloe saponarin-II. Copyright 2008 John Wiley & Sons, Ltd. [source]


Syntheses, characterization and biological studies of zinc(II), copper(II) and cobalt(II) complexes with Schiff base ligand derived from 2-hydroxy-1-naphthaldehyde and selenomethionine

APPLIED ORGANOMETALLIC CHEMISTRY, Issue 10 2010
Xueguang Ran
Abstract Novel zinc(II), copper(II), and cobalt(II) complexes of the Schiff base derived from 2-hydroxy-1-naphthaldehyde and D, L -selenomethionine were synthesized and characterized by elemental analysis, IR, electronic spectra, conductance measurements, magnetic measurements and powder XRD. The analytical data showed the composition of the metal complex to be ML(H2O), where L is the Schiff base ligand and M = Co(II), Cu(II) and Zn(II). IR results confirmed the tridentate binding of the Schiff base ligand involving azomethine nitrogen, naphthol oxygen and carboxylato oxygen atoms. 1H NMR spectral data of lithium salt of the Schiff base ligand [Li(HL)] and ZnL(H2O) agreed with the proposed structures. The conductivity values of complexes between 12.50 and 15.45 S cm2 mol,1 in DMF suggested the presence of non-electrolyte species. The powder XRD studies indicated that Co(II) complex is amorphous, whereas Cu(II) and Zn(II) complexes are crystalline. The results of antibacterial and antifungal screening studies indicated that Li(HL) and its metal complexes are active, but CuL(H2O) is most active among them. Copyright 2010 John Wiley & Sons, Ltd. [source]


Synthesis, spectral and antimicrobial studies of diorganotin(IV)3(2,-hydroxyphenyl)-5-(4-substituted phenyl) pyrazolinates

APPLIED ORGANOMETALLIC CHEMISTRY, Issue 10 2006
U. N. Tripathi
Abstract Diorganotin(IV) dipyrazolinates of the type R2Sn(C15H12N2OX)2 [where C15H12N2OX = 3(2,-Hydroxyphenyl)-5(4-X-phenyl)pyrazoline {where X = H (a); CH3 (b); OCH3 (c); Cl (d) and R = Me, Prn and Ph}] have been synthesized by the reaction of R2SnCl2 with sodium salt of pyrazolines in 1:2 molar ratio, in anhydrous benzene. These newly synthesized derivatives have been characterized by elemental analysis (C, H, N, Cl and Sn), molecular weight measurement as well as spectral [IR and multinuclear NMR (1H, 13C and 119Sn)] studies. The bidentate behaviour of the pyrazoline ligands was confirmed by IR, 1H and 13C NMR spectral data. A distorted trans -octahedral structure around tin(IV) atom for R2Sn(C15H12N2OX)2 has been suggested. The free pyrazoline and diorganotin(IV) dipyrazolinates have also been screened for their antibacterial and antifungal activities. Some diorganotin(IV) dipyrazolinates exhibit higher antibacterial and antifungal effect than free ligand and some of the antibiotics. Copyright 2006 John Wiley & Sons, Ltd. [source]


Preparation and characterization of tris(iso-propyl)stibine complexes of palladium and platinum

APPLIED ORGANOMETALLIC CHEMISTRY, Issue 1 2002
Prasad P. Phadnis
Abstract Tris(iso-propyl)stibine complexes of palladium and platinum of the type [MX2(SbiPr3)2] [M, X,=,Pd, Cl (1a), Pd, Br (1b), Pd, I (1c), Pt, Cl (2)] have been prepared and characterized by elemental analysis, IR and 1H NMR spectral data. The structure of 1a, established by X-ray structural analysis, revealed that the palladium atom is in a square planar environment with mutually trans SbiPr3 ligands. Copyright 2001 John Wiley & Sons, Ltd. [source]


Synthesis and Antiviral Activities of Chiral Thiourea Derivatives

CHINESE JOURNAL OF CHEMISTRY, Issue 3 2009
Zhikun YAN
Abstract An environmentally benign method has been developed for the synthesis of novel chiral thiourea derivatives in high yields in ionic liquid [Bmim]PF6. The ionic solvent can be recovered and reused without any loss of its activity. The target compounds were characterized by elemental analysis, IR, 1H NMR and 13C NMR spectral data. According to the preliminary bioassay, some of the chiral thiourea analogues exhibited moderate in vivo antiviral activities against TMV at a concentration of 500 mg/L. Title chiral compound 3i was found to possess good in vivo protection, inactivation and curative activities of 57.0%, 96.4% and 55.0%, respectively against TMV with an inhibitory concentration at 500 mg/L. The title chiral compound 3i revealed better inactivation effect on TMV (EC50=50.8 g/mL) than Ningnanmycin (EC50=60.2 g/mL). [source]


Copolymerization of Ethylene/1-hexene and Polymerization of Propylene with Cp-indenyl Zirconium Complexes

CHINESE JOURNAL OF CHEMISTRY, Issue 8 2005
Zhang Yong
Abstract Complexes (R1Cp)(R2Ind)ZrCl2, the catalysts previously reported active for ethylene polymerization showed high activity in ethylene/1-hexene copolymerization and propylene polymerization in the presence of MAO. The content of 1-hexene in copolymers ranged from 1.2% to 3.2%. In propylene polymerization the complex 1 showed the highest activity, up to 1.2106 g of polypropylene per mol of catalyst per hour. Based on the analysis of NMR spectral data, the relationships between complex structures and polymerization results were explored. [source]


Ring-opening polymerization of ,-caprolactone by lanthanide tris (2, 6-dimethylphenolate) s

CHINESE JOURNAL OF CHEMISTRY, Issue 9 2003
Li-Fang Zhang
Abstract Lanthanide tris (2,6-dimethylphenolate)s [Ln(ODMP)3] were used as initiators for ring-opening polymerization of s -caprolactone (CL) for the first time. The influence of different rare earth elements and solvents was investigated. 1H NMR spectral data of polycaprolactone (PCL) obtained showed that the polymerization mechanism is in agreement with the coordination-insertion mechanism and the selective cleavage of the acyl-oxygen bond of CL. [source]