Art

J-GLOBAL ID：200902202775115614   Reference number：03A0132172

General Preference for Alkyl/Phenyl Folded Conformations. Relevance of the CH/π^# and CH/O Interactions to Stereochemistry as Evidenced by Ab Initio MO Calculations.

アルキル/フェニル折り畳み立体配座の一般的な選好性 CH/πおよびCH/O相互作用の立体化学に対する関連性のab initio分子軌道計算による証明

Author (5)： TAKAHASHI O (Hiroshima Univ., Hiroshima) ,  KOHNO Y (Hiroshima Univ., Hiroshima) ,  GONDOH Y (Hiroshima Univ., Hiroshima) ,  SAITO K (Hiroshima Univ., Hiroshima) ,  NISHIO M (CHPI Inst., Tokyo)
Material： Bulletin of the Chemical Society of Japan  (Bull Chem Soc Jpn)
Volume： 76  Issue： 2  Page： 369-374  Publication year： Feb. 15, 2003 
JST Material Number： G0450A  ISSN： 0009-2673  CODEN： BCSJA8  Document type： Article
Article type： 原著論文  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： folded structure ,...

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JST classification (3)： Configuration and conformation of molecules  (BH05022J) ,  Other physical chemistry in general  (CB01030T) ,  Aromatic monocyclic sulfoxides,sulfones,sulfonium compounds  (CF05130Q)

Substance index (16)： Methyl[(R)-α-methylbenzyl] sulfoxide ,  Methyl[(S)-α-methylbenzyl] sulfoxide ,  Ethyl[(R)-α-methylbenzyl] sulfoxide ,  Ethyl[(S)-α-methylbenzyl] sulfoxide ,  Isopropyl[(R)-α-methylbenzyl] sulfoxide ,  Isopropyl[(S)-α-methylbenzyl] sulfoxide ,  tert-Butyl[(R)-α-methylbenzyl] sulfoxide ,  tert-Butyl[(S)-α-methylbenzyl] sulfoxide ,  (R)-3-Phenyl-2-butanone ,  (S)-3-Phenyl-2-butanone ,  (R)-2-Phenyl-3-pentanone ,  (S)-2-Phenyl-3-pentanone ,  (R)-2-Phenyl-4-methyl-3-pentanone ,  Isopropyl[(S)-α-methylbenzyl] ketone ,  [(R)-α-Methylbenzyl]tert-butyl ketone ,  [(S)-α-Methylbenzyl]tert-butyl ketone

Reference (31)：

• 1) Y. Iitaka, Y. Kodama, K. Nishihata, and M. Nishio, J. Chem. Soc., Chem. Commun., 1974, 389.
• 2) Y. Kodama, K. Nishihata, M. Nishio, and Y. Iitaka, J. Chem. Soc., Perkin Trans. 2, 1976, 1490.
• 3) M. Hirota, Y. Takahashi, M. Nishio, and K. Nishihata, Bull. Chem. Soc. Jpn., 51, 2358 (1978).
• 4) Y. Kodama, S. Zushi, K. Nishihata, M. Nishio, and J. Uzawa, J. Chem. Soc., Perkin Trans. 2, 1980, 1306.
• 5) Here we employ the conventional threo-erythro notation to avoid confusion. The sequence-rule symbol does not necessary match the stereochemical structure. Thus, e.g., (αR,SS/αS,SR)-t-butyl-1-phenylethyl sulfoxide corresponds, configurationally, to (αR,SR/αS,SS)-alkyl-1-phenylethyl sulfoxide (alkyl = CH₃, C₂H₅, i-C₃H₇).

Terms in the title (10)： フェニル ,  折り畳み ,  立体配座 ,  選好性 ,  CH ,  相互作用 ,  立体化学 ,  関連性 ,  分子軌道計算 ,  証明