2,2-二甲基-1-苯基环丙烷-1-甲腈 | 90284-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,2-二甲基-1-苯基环丙烷-1-甲腈
• 英文名称: 2,2-dimethyl-1-phenyl-cyclopropanecarbonitrile
• 英文别名: 2,2-Dimethyl-1-phenylcyclopropane-1-carbonitrile
• CAS: 90284-45-0
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: ZRJXCOVHFOLZDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-bromo-3-phenyl-3H-diazirine 以 乙腈 为溶剂， 反应 8.0h， 生成 2,2-二甲基-1-苯基环丙烷-1-甲腈
  参考文献：
  名称：

  Moss, Robert A.; Kmiecik-Lawrynowicz, Grazyna; Cox, D. Phillip, Synthetic Communications, 1984, vol. 14, # 1, p. 21 - 26

  摘要：

  DOI：

文献信息

• 1-Phenyl-spiro[2.5]octane-1-carbonitrile analogues and their use in fragrance formulations
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES, INC.

  公开号：EP1857437A1

  公开（公告）日：2007-11-21

  The present invention is directed to novel compounds of the general formula wherein R and R1 independently represent a hydrogen or a straight, branched or cyclic hydrocarbon moiety consisting of less than 15, preferably less than 10, most preferably less than 4 carbon atoms and containing single and/or double bonds. Another embodiment of the invention is a method for enhancing a perfume composition by incorporating an olfactory acceptable amount of the compound provided above.

  本发明涉及通式如下的新型化合物 其中 R 和 R1 分别代表氢或由少于 15 个碳原子，最好少于 10 个碳原子，最 好少于 4 个碳原子组成并含有单键和/或双键的直链、支链或环状烃基。 本发明的另一个实施方案是一种通过加入嗅觉可接受量的上述化合物来增强香水组合物的方法。
• Photoreaction of α-phenylcrotononitrile derivatives: the facile cyclopropane ring formation
  作者：Tsutomu Kumagai、Toru Segawa、Zen-Ichirou Endo、Toshio Mukai

  DOI：10.1016/s0040-4039(00)85438-6

  日期：1986.1
• MOSS, R. A.;KMIECIK-LAWRYNOWICZ, G.;COX, D. P., SYNTH. COMMUN., 1984, 14, N 1, 21-25
  作者：MOSS, R. A.、KMIECIK-LAWRYNOWICZ, G.、COX, D. P.

  DOI：——

  日期：——
• KUMAGAI TSUTOMU; SEGAWA TORU; ENDO ZEN-ICHIROU; MUKAI TOSHIO, TETRAHEDRON LETT., 27,(1986) N 51, 6225-6228
  作者：KUMAGAI TSUTOMU、 SEGAWA TORU、 ENDO ZEN-ICHIROU、 MUKAI TOSHIO

  DOI：——

  日期：——
• 1-PHENYL-SPIRO[2.5]OCTANE-1-CARBONITRILE ANALOGUES THEIR USE IN FRAGRANCE FORMULATIONS
  申请人：Narula Anubhav P.S.

  公开号：US20070270328A1

  公开（公告）日：2007-11-22

  The present invention is directed to novel compounds of the general formula wherein R and R 1 independently represent a hydrogen or a straight, branched or cyclic hydrocarbon moiety consisting of less than 15, preferably less than 10, most preferably less than 4 carbon atoms and containing single and/or double bonds. Another embodiment of the invention is a method for enhancing a perfume composition by incorporating an olfactory acceptable amount of the compound provided above.