3,3-dimethyl-1-phenylthio-2-chlorobutane | 66784-24-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3,3-dimethyl-1-phenylthio-2-chlorobutane
• 英文别名: 2,2-Dimethyl-3-chlor-4-phenylthio-butan；(2-Chloro-3,3-dimethylbutyl)sulfanylbenzene
• CAS: 66784-24-5
• 化学式: C₁₂H₁₇ClS
• 分子量: 228.786
• InChiKey: XQVNQOXQLCPJEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-1-phenylthio-2-chlorobutane 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 (2-Chloro-3,3-dimethyl-butane-1-sulfonyl)-benzene
  参考文献：
  名称：

  Efficient dehydrocyanation of hindered 1-substituted olefins

  摘要：

  The chlorosulfides 7 which formed quantitatively by reaction of olefins 5 with PhSCl under neutral conditions could be converted into the unsaturated nitrites 6 in good yields by sequential treatment with alkaline cyanides and MCPBA. a similar result being observed by reversing this order. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00516-6
• 作为产物：
  描述：

  3,3-二甲基-1-丁烯 在 silica gel 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 生成 3,3-dimethyl-1-phenylthio-2-chlorobutane
  参考文献：
  名称：

  Efficient dehydrocyanation of hindered 1-substituted olefins

  摘要：

  The chlorosulfides 7 which formed quantitatively by reaction of olefins 5 with PhSCl under neutral conditions could be converted into the unsaturated nitrites 6 in good yields by sequential treatment with alkaline cyanides and MCPBA. a similar result being observed by reversing this order. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00516-6

文献信息

• Borisov, A. V.; Bodrikov, I. V.; Borisova, G. N., Russian Journal of Organic Chemistry, 1995, vol. 31, # 7, p. 943 - 951
  作者：Borisov, A. V.、Bodrikov, I. V.、Borisova, G. N.、Smit, V. A.、Lutsenko, A. I.、Bel'skii, V. K.

  DOI：——

  日期：——
• Zefirov,N.S. et al., Journal of Organic Chemistry USSR (English Translation), 1978, vol. 14, p. 429 - 433
  作者：Zefirov,N.S. et al.

  DOI：——

  日期：——
• Efficient dehydrocyanation of hindered 1-substituted olefins
  作者：O. Temmem、D. Uguen、A. De Cian、N. Gruber

  DOI：10.1016/s0040-4039(02)00516-6

  日期：2002.4

  The chlorosulfides 7 which formed quantitatively by reaction of olefins 5 with PhSCl under neutral conditions could be converted into the unsaturated nitrites 6 in good yields by sequential treatment with alkaline cyanides and MCPBA. a similar result being observed by reversing this order. (C) 2002 Elsevier Science Ltd. All rights reserved.