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Straightforward Procedure (straightforward + procedure)

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Chemistry60%

Selected Abstracts

A Straightforward Procedure for the [2+2+2],Cycloaddition of Enediynes

ADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 1-2 2009
Anaďs Geny
Abstract Enediynes undergo intramolecular [2+2+2],cycloaddition in the presence of cobalt(II) iodide (CoI2), manganese and an N-heterocyclic carbene (IPr) generated in situ from the corresponding imidazolium salt and butyllithium (BuLi). Polycyclic cyclohexadienes are obtained selectively. This new method represents an interesting alternative to those employing air-sensitive cyclopentadienylcobalt [CpCoL2 (L=CO, C2H4)] catalysts. Moreover, the N-heterocyclic carbene can be used catalytically, which is a significant improvement compared to the corresponding phosphine-based system which requires an excess of ligand. [source]

A Reality Check for Data Snooping

ECONOMETRICA, Issue 5 2000
Halbert White
Data snooping occurs when a given set of data is used more than once for purposes of inference or model selection. When such data reuse occurs, there is always the possibility that any satisfactory results obtained may simply be due to chance rather than to any merit inherent in the method yielding the results. This problem is practically unavoidable in the analysis of time-series data, as typically only a single history measuring a given phenomenon of interest is available for analysis. It is widely acknowledged by empirical researchers that data snooping is a dangerous practice to be avoided, but in fact it is endemic. The main problem has been a lack of sufficiently simple practical methods capable of assessing the potential dangers of data snooping in a given situation. Our purpose here is to provide such methods by specifying a straightforward procedure for testing the null hypothesis that the best model encountered in a specification search has no predictive superiority over a given benchmark model. This permits data snooping to be undertaken with some degree of confidence that one will not mistake results that could have been generated by chance for genuinely good results. [source]

A Simple Correction for Slug Tests in Small-Diameter Wells

GROUND WATER, Issue 3 2002
James J. Butler Jr.
A simple procedure is presented for correcting hydraulic conductivity (K) estimates obtained from slug tests performed in small-diameter installations screened in highly permeable aquifers. Previously reported discrepancies between results from slug tests in small-diameter installations and those from tests in nearby larger-diameter wells are primarily a product of frictional losses within the small-diameter pipe. These frictional losses are readily incorporated into existing models for slug tests in high-K aquifers, which then serve as the basis of a straightforward procedure for correcting previously obtained K estimates. A demonstration of the proposed procedure using data from a series of slug tests performed in a controlled field setting confirms the validity of the approach. The results of this demonstration also reveal the detailed view of spatial variations in K that can be obtained using slug tests in small-diameter installations. [source]

Synthesis and Preferred All- syn Conformation of C3 -Symmetrical N -(Hetero)arylmethyl Triindoles

CHEMISTRY - A EUROPEAN JOURNAL, Issue 28 2008

Abstract A new series of C3 -symmetrical N -(hetero)arylmethyl triindoles has been synthesized in a straightforward procedure. The structure and conformation in the solid state have been determined for three derivatives (3, 4, and 6) by X-ray crystallographic analysis. In all three cases, the molecules adopt a tripodal conformation with all of the flexible arms directed towards the same side, thereby delimiting an inner cavity. Compound 6 crystallizes and forms C3 -symmetric dimeric cagelike complexes. Guest molecules of chloroform and water are confined within the resulting cavities with stabilization by different intermolecular interactions; this highlights the potential of these compounds in the construction of supramolecular systems. A computational analysis has been performed to predict the most stable conformers. As a general trend, a preference for a conformation with all branches directed to the same side has been predicted. Comparison between theoretical and experimental results indicates that the computational level selected for the present study, B3LYP/6-31G*, is able to reproduce both the minimum energy conformations and the rotation barriers about the NCH2 bond. [source]

Dynamic Kinetic Resolution and Desymmetrization Processes: A Straightforward Methodology for the Enantioselective Synthesis of Piperidines

CHEMISTRY - A EUROPEAN JOURNAL, Issue 30 2006
Mercedes Amat Prof.
Abstract A straightforward procedure for the synthesis of enantiopure polysubstituted piperidines is reported. It involves the direct generation of chiral non-racemic oxazolo[3,2- a]piperidone lactams that already incorporate carbon substituents on the heterocyclic ring and the subsequent removal of the chiral auxiliary. The key step is a cyclocondensation reaction of (R)-phenylglycinol or other amino alcohols with racemic or prochiral ,-oxo (di)acid derivatives in highly stereoselective processes involving dynamic kinetic resolution and/or desymmetrization of diastereotopic or enantiotopic ester groups. Se describe un procedimiento directo para la síntesis enantioselectiva de piperidinas polisustituidas. Consiste en la generación directa de oxazolo[3,2-a]piperidonas quirales no racémicas que ya incorporan sustituyentes carbonados en las diferentes posiciones del heterociclo, y en la posterior eliminación del auxiliar quiral. La etapa clave es una reacción de ciclocondensación entre el (R)-fenilglicinol, u otros amino alcoholes quirales, con derivados de , -oxo ácidos racémicos o proquirales, en procesos altamente estereoselectivos que implican una resolución cinética dinámica y/o la desimetrización de grupos diastereotópicos o enantiotópicos. [source]