1,1'-Bicyclohexyliden-4-ol | 66405-56-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1'-Bicyclohexyliden-4-ol
• 英文别名: 4-Cyclohexylidenecyclohexan-1-ol
• CAS: 66405-56-9
• 化学式: C₁₂H₂₀O
• 分子量: 180.29
• InChiKey: WDCBZYSJYQXWCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(4-甲氧基苯基)环己醇 在 sodium tetrahydroborate 、 copper diacetate 、 一水合肼 作用下， 反应 2.0h， 生成 1,1'-Bicyclohexyliden-4-ol
  参考文献：
  名称：

  Humphreys,D.J. et al., Journal of the Chemical Society. Perkin transactions I, 1978, p. 24 - 33

  摘要：

  DOI：

文献信息

• Humphreys,D.J. et al., Journal of the Chemical Society. Perkin transactions I, 1978, p. 19 - 23
  作者：Humphreys,D.J. et al.

  DOI：——

  日期：——
• Oligo(cyclohexylidenes): Parent Compounds and End-Functionalized Derivatives
  作者：Frans J. Hoogesteger、Remco W. A. Havenith、Jan W. Zwikker、Leonardus W. Jenneskens、Huub Kooijman、Nora Veldman、Anthony L. Spek

  DOI：10.1021/jo00119a014

  日期：1995.7

  Parent oligo(cyclohexylidenes) 1(n) (n = 1-4) were synthesized using a modified Barton-Kellogg olefin synthesis. Surprisingly, the crude compounds 1(2) and 1(4) contained small amounts of the 1(n-1) and 1(n+1) homologues. As evidenced by a close examination of mass spectral data of selectively deuterated tercyclohexylidenes 1(2)d(4)d(4) and 1(2)-d(8), their formation can be attributed to scrambling of the intermediate azines. With increasing n, a marked decrease in solubility as well as an increase in thermal stability was found. Powder diffraction measurements indicate that the parent compounds 1(n), irrespective of n, pack in a similar fashion in the solid state. The theoretically (MMX, AM1, and ab initio) predicted rodlike structure of the oligo(cyclohexylidenes) was confirmed by single-crystal X-ray structures of 1(1) and three derivatives (12(1), 13(1), and 30(2)). In line with the powder diffraction data in the series 1(n), a similar packing motif was found for the derivatives. To circumvent side product formation due to azine scrambling, a different synthetic approach was used for the preparation of end-functionalized oligo(cyclohexylidenes), i.e. decarboxylation and dehydration of beta-hydroxy acids.
• JPS5441858A
  申请人：——

  公开号：JPS5441858A

  公开（公告）日：1979-04-03
• Humphreys,D.J. et al., Journal of the Chemical Society. Perkin transactions I, 1978, p. 24 - 33
  作者：Humphreys,D.J. et al.

  DOI：——

  日期：——