3-(环己基)环己烯 | 65181-97-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 3-(环己基)环己烯
• 英文名称: 3-(cyclohexylidene)cyclohexene
• 英文别名: 3-Cyclohexyliden-cyclohexen；3-Cyclohexylidenecyclohexene
• CAS: 65181-97-7
• 化学式: C₁₂H₁₈
• 分子量: 162.275
• InChiKey: JDKPRCWBBQCCQE-UHFFFAOYSA-N

物化性质

• 沸点：
  242.5±7.0 °C(Predicted)
• 密度：
  0.959±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-环己基-2-甲基-环戊烯 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 乙醚 、 水 作用下， 生成 3-(环己基)环己烯
  参考文献：
  名称：

  Laber, Justus Liebigs Annalen der Chemie, 1954, vol. 588, p. 79,83

  摘要：

  DOI：

文献信息

• Formation of P-Ylide under Neutral and Metal-Free Conditions:  Transformation of Aziridines and Epoxides to Conjugated Dienes In the Presence of Phosphine
  作者：Ren-Hua Fan、Xue-Long Hou、Li-Xin Dai

  DOI：10.1021/jo0354286

  日期：2004.2.1

  A general approach to formation of the P-ylide from the reaction of aziridines or epoxides with organophosphine under neutral and metal-free conditions is realized. Conjugated diene derivatives based on this kind of P-ylide were prepared in a facile and convenient way.
• Comparison of the Catalytic Activity of [(η⁵-C₅H₅)Ru(2,2′-bipyridine)(L)]OTf versus [(η⁵-C₅H₅)Ru(6,6′-diamino-2,2′-bipyridine)(L)]OTf (L = labile ligand) in the Hydrogenation of Cyclohexanone. Evidence for the Presence of a Metal–Ligand Bifunctional Mechanism under Acidic Conditions
  作者：Domenico DiMondo、Michelle E. Thibault、James Britten、Marcel Schlaf

  DOI：10.1021/om400871v

  日期：2013.11.11

  The two title complexes as well as the dimeric complex [Ru(II)(eta(5)-C5H5)(6,6'-diamino-2,2'-bipyridine)12(OTf)(2) have been synthesized and characterized by NMR and single-crystal X-ray crystallography. The direct structural comparison of the 2,2'-bipyridine and 6,6'-diamino-2,2'-bipyridine complexes suggests that the electronic and steric environments of the ruthenium centers in both complexes are essentially equivalent, providing for a unique opportunity to probe the influence of the noncoordinated amine substituent on the relative reactivity and catalytic activity of the complexes. Opposite to what would be anticipated on the basis of steric effects, the bulkier amine-substituted ligand results in a catalyst showing substantially higher activity in the hydrogenation of cyclohexanone in acidic medium, which is attributed to the operation of a metal ligand bifunctional hydrogenation mechanism mediated by the amine substituents in their protonated form acting as proton shuttles.
• Laber, Justus Liebigs Annalen der Chemie, 1954, vol. 588, p. 79,83
  作者：Laber

  DOI：——

  日期：——