5-Cyano-3-methyl-1-cyclohexene | 24054-29-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-Cyano-3-methyl-1-cyclohexene
• 英文别名: 3-methyl-5-cyanocyclohex-1-ene；5-Methylcyclohex-3-ene-1-carbonitrile
• CAS: 24054-29-3
• 化学式: C₈H₁₁N
• 分子量: 121.182
• InChiKey: CFICLMKQCAZZAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-methyl-1,2,5,6-tetrahydrobenzonitrile 、 5-Cyano-3-methyl-1-cyclohexene 、 天然橡胶 、 lithium diisopropyl amide 生成 3,10-dimethylspiro[5.5]undeca-2,8-dien-5-one
  参考文献：
  名称：

  TAKABE, KUNIHIKO;YODA, HIDEMI;OHKAWA, SUGURU;KATAGIRI, TAKAO, CHEM. AND IND., 1985, N 15, 525-527

  摘要：

  DOI：
• 作为产物：
  描述：

  反-1,3-戊二烯 、 丙烯腈 生成 5-Cyano-3-methyl-1-cyclohexene
  参考文献：
  名称：

  Li Yufei, Padias Anne Buyle, Hall H. K., (Jr), J. Org. Chem, 58 (1993) N 25, S 7049-7058

  摘要：

  DOI：

文献信息

• A bond-forming initiation mechanism for spontaneous polymerisations accompanying Diels–Alder reactions
  作者：H. K. Hall、Anne Buyle Padias、Yufei Li、Hester A. Clever、Guangyi Wang

  DOI：10.1039/c39910001279

  日期：——

  A mechanism is proposed for the spontaneous polymerisations which accompany Diels–Alder reactions.

  提出了伴随狄尔斯-阿尔德反应的自发聚合作用机制。
• Evidence for 2-hexene-1,6-diyl diradicals accompanying the concerted Diels-Alder cycloaddition of acrylonitrile with nonpolar 1,3-dienes
  作者：Yufei Li、Anne Buyle Padias、H. K. Hall

  DOI：10.1021/jo00077a025

  日期：1993.12

  The spontaneous reactions of a series of alkyl 1,3-dienes with acrylonitrile (AN) were investigated. Reproducible spontaneous copolymerizations were shown to compete with the expected concerted [4 + 2] cycloadditions. For dienes which exist in s-cis/s-trans equilibrium, both copolymer and cycloadduct are formed. Kinetic measurements show that the alternating copolymerization and cycloaddition are two independent parallel second order reactions. With 1,3-cyclohexadiene and 1,2-dimethylenecyclohexane, for which s-gauche is in equilibrium with s-cis, copolymerization still competes with cycloaddition. The s-trans-locked verbenene forms only copolymer, while s-cis-locked cyclopentadiene and 1,2-dimethylenecyclopentane form only cycloadduct rapidly. Our explanation involves a 2-hexene- 1,6-diradical, formed by combination between the terminal carbons of the s-gauche or s-trans diene and acrylonitrile. This does not cyclize but initiates copolymerization. Competitively s-cis conformer undergoes classical concerted [4 + 2] addition.
• Li Yufei, Padias Anne Buyle, Hall H. K., (Jr), J. Org. Chem, 58 (1993) N 25, S 7049-7058
  作者：Li Yufei, Padias Anne Buyle, Hall H. K., (Jr)

  DOI：——

  日期：——
• [EN] INHIBITORS OF BETA-SECRETASE<br/>[FR] INHIBITEURS DE LA BÊTA-SÉCRÉTASE
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2010021680A2

  公开（公告）日：2010-02-25

  The present invention is directed to a compound represented by the following structural formula:or a pharmaceutically acceptable salt thereof. Pharmaceutical composition comprising a compound represented by Strucutral Formula (I) and method of use of these compound for inhibiting BACE activity in a subject in need of such treatment are also described.
• TAKABE, KUNIHIKO;YODA, HIDEMI;OHKAWA, SUGURU;KATAGIRI, TAKAO, CHEM. AND IND., 1985, N 15, 525-527
  作者：TAKABE, KUNIHIKO、YODA, HIDEMI、OHKAWA, SUGURU、KATAGIRI, TAKAO

  DOI：——

  日期：——