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J-GLOBAL ID：201002218727425207   Reference number：10A0770745

CH/π Interaction on the Structure of N-Substituted-4-phenyltetrahydroisoquinoline Derivatives

N-置換-4-フェニルテトラヒドロイソキノリン誘導体の構造に関するCH/π相互作用

Author (5)： SUEZAWA Hiroko (Ministry of Education, Culture, Sports, Sci. and Technol.) ,  YUZURI Tomoaki (Dep. of Advanced Materials Chemistry, Graduate School of Engineering, Yokohama National Univ.) ,  KOHNO Yuji (Dep. of Advanced Materials Chemistry, Graduate School of Engineering, Yokohama National Univ.) ,  YAMAGUCHI Yoshitaka (Dep. of Advanced Materials Chemistry, Graduate School of Engineering, Yokohama National Univ.) ,  ASAMI Masatoshi (Dep. of Advanced Materials Chemistry, Graduate School of Engineering, Yokohama National Univ.)
Material： Bulletin of the Chemical Society of Japan  (Bull Chem Soc Jpn)
Volume： 83  Issue： 7  Page： 802-808 (J-STAGE)  Publication year： 2010 
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： *nitrogen heterocyclic compound ,  polynuclear aromatic compound ,  chemical synthesis ,  *rotational barrier ,  ground state ,  *steric conformation ,  Gibbs free energy ,  *crystal structure ,  molecular structure ,  chemical shift ,  hydrogen bond ,  X-ray structural analysis ,  X-ray diffraction ,  proton magnetic resonance ,  ab initio molecular orbital method ,  density functional method ,  basis set ,  stereoisomer ,  MP2 method
Semi thesaurus term： tetrahydroisoquinolines ,  conformation isomer

JST classification (2)： Quinolines,isoquinolines  (CF07096H) ,  Crystal structure of heterocyclic compounds  (BK08030Q)

Substance index (12)： rel-1α^*-Allyl-4β^*-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylic acid tert-butyl ester ,  rel-1α^*-Allyl-4β^*-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylic acid ethyl ester ,  rel-1α^*-Allyl-4α^*-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylic acid tert-butyl ester ,  rel-1α^*-Allyl-4α^*-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid ethyl ester ,  rel-1α^*-Allyl-4β^*-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid isopropyl ester ,  4-Phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid isopropyl ester ,  4-Phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylic acid ethyl ester ,  4-Phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylic acid tert-butyl ester ,  rel-1α^*-Allyl-2-(3,3-dimethylbutanoyl)-4β^*-phenyl-1,2,3,4-tetrahydroisoquinoline ,  2-(3,3-Dimethylbutanoyl)-4-phenyl-1,2,3,4-tetrahydroisoquinoline ,  2-Butanoyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline ,  2-(3,3-Dimethylbutanoyl)-1,2,3,4-tetrahydroisoquinoline

Reference (33)：

• 1) G. C. Pimentel, A. L. McClellan, The Hydrogen Bond, W. H. Freeman & Co. Ltd., San Francisco, 1960.
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Terms in the title (5)： 置換 ,  フェニル ,  テトラヒドロイソキノリン誘導体 ,  CH ,  π相互作用