1,1-dichloro-2-phenetylhex-1-ene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1-dichloro-2-phenetylhex-1-ene
• 英文别名: 3-(Dichloromethylidene)heptylbenzene
• 化学式: C₁₄H₁₈Cl₂
• 分子量: 257.203
• InChiKey: FHSHCBDIZXWFES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  四氯化碳 、 1-phenyl-heptan-3-one 在 Cp2Ti(P(OEt)3)2 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以62%的产率得到1,1-dichloro-2-phenetylhex-1-ene
  参考文献：
  名称：

  Transformation of ketones into 1-chloro and 1,1-dichloro-1-alkenes by means of a polychloromethane-titanocene(II) system

  摘要：

  The olefination of ketones using the organotitanium species formed from Cp2Ti[P(OEt)(3)](2) and polychloromethane was studied. The reaction of the organotitanium species prepared from carbon tetrachloride with ketones produced the 1,1-dichloro-1-alkenes in good yields even when dialkyl ketones were employed. The similar olefination of ketones using chloroform afforded the 1-chloro-1-alkenes and 1,1-dichloro-1-alkenes, the ratio of which reflected the steric demand on the ketones. The titanocene chloromethylidene complex was suggested to be an active species of the reaction on the basis of the results obtained by the reaction using chloroform-d. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00021-6

文献信息

• Transformation of ketones into 1-chloro and 1,1-dichloro-1-alkenes by means of a polychloromethane-titanocene(II) system
  作者：Takeshi Takeda、Yumi Endo、A.Chandra Sheker Reddy、Rika Sasaki、Tooru Fujiwara

  DOI：10.1016/s0040-4020(99)00021-6

  日期：1999.2

  The olefination of ketones using the organotitanium species formed from Cp2Ti[P(OEt)(3)](2) and polychloromethane was studied. The reaction of the organotitanium species prepared from carbon tetrachloride with ketones produced the 1,1-dichloro-1-alkenes in good yields even when dialkyl ketones were employed. The similar olefination of ketones using chloroform afforded the 1-chloro-1-alkenes and 1,1-dichloro-1-alkenes, the ratio of which reflected the steric demand on the ketones. The titanocene chloromethylidene complex was suggested to be an active species of the reaction on the basis of the results obtained by the reaction using chloroform-d. (C) 1999 Elsevier Science Ltd. All rights reserved.