Methyl 5-cyano-3,3-dimethyl-4-phenylsulfanylpentanoate | 1027207-82-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: Methyl 5-cyano-3,3-dimethyl-4-phenylsulfanylpentanoate
• CAS: 1027207-82-4
• 化学式: C₁₅H₁₉NO₂S
• 分子量: 277.387
• InChiKey: NWNNJQWJGMDMFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 5-cyano-3,3-dimethyl-4-phenylsulfanylpentanoate 在 sodium carbonate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 (E)-5-Cyano-3,3-dimethyl-pent-4-enoic acid methyl ester
  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-4-戊烯酸甲酯 以 二氯甲烷 为溶剂， 反应 0.33h， 生成 Methyl 5-cyano-3,3-dimethyl-4-phenylsulfanylpentanoate
  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

• 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.