Combinatorial libraries and the development of organic synthetic methods. PLS modelling to discriminate between successful and failed reaction systems

被引：4

作者：

Carlson, R ^{[1
]}

Gautun, H ^{[1
]}

机构：

[1] Univ Tromso, Fac Sci, Dept Chem, NO-9037 Tromso, Norway

来源：

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 2005年 / 78卷 / 1-2期

关键词：

Lewis acid; Fischer indole synthesis; PLS;

D O I：

10.1016/j.chemolab.2004.12.015

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

The paper describes a combinatorial study in which substrate structure, Lewis acid properties, and solvent properties were varied to explore the Fischer indole synthesis. The number of items in the combinatorial library was 254. Of these, 162 afforded the Fischer reaction. It is shown how PLS modelling can be used to identify critical properties of the reaction systems so that both conditions that are favourable for the reaction as well as conditions that fail can be identified. Transformation of the PLS models to response surface models makes it possible to analyse the properties of the reaction system in detail. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：113 / 124

页数：12

共 13 条

[1]

[Anonymous], 1883, BER DTSCH CHEM GES, DOI DOI 10.1002/CBER.188301602141

[2] PRINCIPAL PROPERTIES FOR SYNTHETIC SCREENING - KETONES AND ALDEHYDES [J].

CARLSON, R ;

PROCHAZKA, MP ;

LUNDSTEDT, T .

ACTA CHEMICA SCANDINAVICA SERIES B-ORGANIC CHEMISTRY AND BIOCHEMISTRY, 1988, 42 (03) :145-156

[3] SCREENING OF SUITABLE SOLVENTS IN ORGANIC-SYNTHESIS - STRATEGIES FOR SOLVENT SELECTION [J].

CARLSON, R ;

LUNDSTEDT, T ;

ALBANO, C .

ACTA CHEMICA SCANDINAVICA SERIES B-ORGANIC CHEMISTRY AND BIOCHEMISTRY, 1985, 39 (02) :79-91

[4] A novel approach for screening discrete variations in organic synthesis [J].

Carlson, R ;

Carlson, J ;

Grennberg, A .

JOURNAL OF CHEMOMETRICS, 2001, 15 (05) :455-474

[5] LEWIS-ACIDS IN ORGANIC-SYNTHESIS - APPROACH TO A SELECTION STRATEGY FOR SCREENING EXPERIMENTS [J].

CARLSON, R ;

LUNDSTEDT, T ;

NORDAHL, A ;

PROCHAZKA, M .

ACTA CHEMICA SCANDINAVICA SERIES B-ORGANIC CHEMISTRY AND BIOCHEMISTRY, 1986, 40 (07) :522-533

[6]

Carlson R., 1992, Design and Optimization in Organic Synthesis

[7]

CHARTON M, 1982, TOP CURR CHEM, V117, P57

[8] High-throughput experimentation: A powerful enabling technology for the chemicals and materials industry [J].

Dar, YL .

MACROMOLECULAR RAPID COMMUNICATIONS, 2004, 25 (01) :34-47

[9]

NICOLAOU KC, 2002, HDB COMBINATORIAL CH

[10] D-optimal onion designs in statistical molecular design [J].

Olsson, IM ;

Gottfries, J ;

Wold, S .

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2004, 73 (01) :37-46

← 1 2 →