1-chloro-5-ethylheptan-5-ol | 31848-92-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-chloro-5-ethylheptan-5-ol
• 英文别名: 1-Chlor-5-ethyl-5-heptanol；7-chloro-3-ethyl-heptan-3-ol；1-Chloro-5-ethyl-5-heptanol；7-chloro-3-ethylheptan-3-ol
• CAS: 31848-92-7
• 化学式: C₉H₁₉ClO
• 分子量: 178.702
• InChiKey: NUBOGALDZAJQDX-UHFFFAOYSA-N

物化性质

• 沸点：
  108-109 °C(Press: 12 Torr)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-chloro-5-ethylheptan-5-ol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以81%的产率得到2,2-diethyltetrahydropyran
  参考文献：
  名称：

  Barluenga, Jose; Rubiera, Covadonga; Fernandez, Jose R., Journal of Chemical Research, Miniprint, 1987, # 12, p. 3242 - 3264

  摘要：

  DOI：
• 作为产物：
  描述：

  5-ethyl-1,5-heptanediol 在 吡啶盐酸盐 作用下， 以 吡啶 为溶剂， 反应 4.0h， 生成 1-chloro-5-ethylheptan-5-ol
  参考文献：
  名称：

  Bifunctional even-electron ions: 1—Fragmentation behaviour of ω-methoxy-, ω-hydroxy- and ω-chloro-oxonium ions

  摘要：

  AbstractBifunctional oxonium ions—generated from tertiary aliphatic alcohols containing an additional hydroxy, methoxy or chloro group at the end of an alkyl side‐chain—do not markedly exhibit fragmentations typical of ordinary oxonium ions, but show as the main reactions those caused by functional group interaction, through‐space interaction being the dominant factor. The main primary fragmentation is loss of the additional functional group X as HX, followed by loss of the side‐chain originally separating the two functional groups, leading to carbonyl cations. This typical reaction sequence is initiated by proton migration from the oxonium moiety to the additional functional group. The reaction behaviour of the bifunctional ions is discussed. The lowest homologues show specific deviations from the general fragmentation behaviour.

  DOI：

  10.1002/oms.1210201008

文献信息

• Synthesis of aliphatic and aralkyl amino alcohols from 1,1,1,5-tetrachloropentane
  作者：T. T. Vasil'eva、E. M. Cherkasova、T. M. Korol'kova、E. Ya. Borisova、T. A. Kost、R. V. Kozlenkova

  DOI：10.1007/bf00854934

  日期：1970.12
• 1α-Hydroxy-19-nor-vitamin D C-22 aldehyde. A valuable intermediate in the synthesis of side chain modifed 1α,25-dihydroxy-19-nor-vitamin D3
  作者：Kato L. Perlman、Hector F. DeLuca

  DOI：10.1016/s0040-4039(00)79565-7

  日期：1992.5

  A side chain homologated 1-alpha,25-dihydroxy-19-nor-vitamin D3 analog was prepared in a double convergent synthesis with 1-alpha-hydroxy-19-nor-vitamin D C-22 aldehyde as a key intermediate.
• BORLUENGA, JOSE;RUBIERA, COVADONGA;FERNANDEZ, JOSE R.;FLOREZ, JOSEFA;YUS,+, J. CHEM. RES. (S),(1987) N2, C. 400-401
  作者：BORLUENGA, JOSE、RUBIERA, COVADONGA、FERNANDEZ, JOSE R.、FLOREZ, JOSEFA、YUS,+

  DOI：——

  日期：——
• US5250523A
  申请人：——

  公开号：US5250523A

  公开（公告）日：1993-10-05
• Barluenga, Jose; Rubiera, Covadonga; Fernandez, Jose R., Journal of Chemical Research, Miniprint, 1987, # 12, p. 3242 - 3264
  作者：Barluenga, Jose、Rubiera, Covadonga、Fernandez, Jose R.、Florez, Josefa、Yus, Miguel

  DOI：——

  日期：——