4,6-dimethoxy-2,5,5-trimethyl-7-(p-tolylthio)hept-1-ene | 359701-11-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,6-dimethoxy-2,5,5-trimethyl-7-(p-tolylthio)hept-1-ene
• 英文别名: 1-(2,4-Dimethoxy-3,3,6-trimethylhept-6-enyl)sulfanyl-4-methylbenzene
• CAS: 359701-11-4
• 化学式: C₁₉H₃₀O₂S
• 分子量: 322.512
• InChiKey: GWZJGOBNNJXPDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,6-dimethoxy-2,5,5-trimethyl-7-(p-tolylthio)hept-1-ene 在 三氟甲磺酸三甲基硅酯 、 氯化二乙基铝 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以67%的产率得到(E)-6-methoxy-2,5,5-trimethyl-7-(p-tolylthio)hepta-1,3-diene
  参考文献：
  名称：

  Polyfunctional adducts assembled with the help of a one-pot sequence of three AdE reactions as synthetically useful intermediates. The course of the Lewis acid induced transformations of the 4,6-dialkoxy-7-arylthioheptene moiety

  摘要：

  Data on the selectivity of the Lewis acid induced transformations of the title adducts are presented and the routes leading to formation of products containing either cyclohexane or 1,3-dienes units are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00696-7
• 作为产物：
  描述：

  乙烯基甲醚 、 4-甲基苯硫氯 、 1-methoxy-2-methylprop-1-ene 、 异丁烯基三甲基硅烷 在 lithium perchlorate 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 3.0h， 以93%的产率得到4,6-dimethoxy-2,5,5-trimethyl-7-(p-tolylthio)hept-1-ene
  参考文献：
  名称：

  Polyfunctional Compounds Containing the 4,6-Dialkoxy-7-arylthioheptene Moiety as Synthetically Useful Intermediates. The Course of Lewis Acid-Induced Transformations

  摘要：

  Data on the selectivity of the Lewis acids induced transformations of the title compounds are presented, and the routes leading to formation of products containing either cyclohexane or 1,3-diene units are described.

  DOI：

  10.1021/jo0261202

文献信息

• Chekmarev; Maskaev; Zatonsky, Mendeleev Communications, 2001, vol. 11, # 5, p. 176 - 178
  作者：Chekmarev、Maskaev、Zatonsky、Lazareva、Caple、Smit

  DOI：——

  日期：——
• Polyfunctional adducts assembled with the help of a one-pot sequence of three AdE reactions as synthetically useful intermediates. The course of the Lewis acid induced transformations of the 4,6-dialkoxy-7-arylthioheptene moiety
  作者：Dimitry S Chekmarev、Margarita I Lazareva、Georgy V Zatonsky、Ron Caple、William Smit

  DOI：10.1016/s0040-4039(01)00696-7

  日期：2001.6

  Data on the selectivity of the Lewis acid induced transformations of the title adducts are presented and the routes leading to formation of products containing either cyclohexane or 1,3-dienes units are described. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Polyfunctional Compounds Containing the 4,6-Dialkoxy-7-arylthioheptene Moiety as Synthetically Useful Intermediates. The Course of Lewis Acid-Induced Transformations
  作者：Dmitriy S. Chekmarev、Margarita I. Lazareva、Georgy V. Zatonsky、Andrei V. Maskaev、Ron Caple、William Smit

  DOI：10.1021/jo0261202

  日期：2002.11.1

  Data on the selectivity of the Lewis acids induced transformations of the title compounds are presented, and the routes leading to formation of products containing either cyclohexane or 1,3-diene units are described.