On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds. 1. Rotational profiles of propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3.

G. Frenking; K. F. Köhler; M. T. Reetz

doi:10.1016/S0040-4020(01)86504-2

On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds. 1. Rotational profiles of propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3.

G. Frenking, K. F. Köhler, M. T. Reetz

University of Marburg

科研成果: 期刊稿件 › 文章 › 同行评审

44 引用（Scopus）

摘要

The conformational profiles for rotation around the CC(O) bond α and the energy minimum conformations are calculated for propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3 at MP2/6-31G(d)//HF/6-31G(d). The energy level of the LUMO is calculated as a function of α for 1, 2, and 3 and discussed in relationship to the Felkin-Anh model.

源语言	英语
页（从-至）	8991-9004
页数	14
期刊	Tetrahedron
卷	47
期	43
DOI	https://doi.org/10.1016/S0040-4020(01)86504-2
出版状态	已出版 - 4 11月 1991
已对外发布	是

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abstract = "The conformational profiles for rotation around the CC(O) bond α and the energy minimum conformations are calculated for propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3 at MP2/6-31G(d)//HF/6-31G(d). The energy level of the LUMO is calculated as a function of α for 1, 2, and 3 and discussed in relationship to the Felkin-Anh model.",

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T1 - On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds. 1. Rotational profiles of propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3.

AU - Frenking, G.

AU - Köhler, K. F.

AU - Reetz, M. T.

PY - 1991/11/4

Y1 - 1991/11/4

N2 - The conformational profiles for rotation around the CC(O) bond α and the energy minimum conformations are calculated for propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3 at MP2/6-31G(d)//HF/6-31G(d). The energy level of the LUMO is calculated as a function of α for 1, 2, and 3 and discussed in relationship to the Felkin-Anh model.

AB - The conformational profiles for rotation around the CC(O) bond α and the energy minimum conformations are calculated for propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3 at MP2/6-31G(d)//HF/6-31G(d). The energy level of the LUMO is calculated as a function of α for 1, 2, and 3 and discussed in relationship to the Felkin-Anh model.

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U2 - 10.1016/S0040-4020(01)86504-2

DO - 10.1016/S0040-4020(01)86504-2

M3 - 文章

AN - SCOPUS:0026076172

SN - 0040-4020

VL - 47

SP - 8991

EP - 9004

JO - Tetrahedron

JF - Tetrahedron

IS - 43

ER -

On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds. 1. Rotational profiles of propionaldehyde 1, chloroacetaldehyde 2, and 2-chloropropionaldehyde 3.

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