(Z)-1-hexylthio-1-(p-methoxyphenyl)-2-(p-methoxyphenylethynyl)-4-(2,4,6-trimethylphenyl)-1-buten-3-yne | 1269800-70-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: (Z)-1-hexylthio-1-(p-methoxyphenyl)-2-(p-methoxyphenylethynyl)-4-(2,4,6-trimethylphenyl)-1-buten-3-yne
• 英文别名: 2-[(3Z)-3-[hexylsulfanyl-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)penta-1,4-diynyl]-1,3,5-trimethylbenzene
• CAS: 1269800-70-5
• 化学式: C₃₅H₃₈O₂S
• 分子量: 522.752
• InChiKey: RUMAMSZMGIUNHK-GXVXDJONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-hexylthio-2-(2,4,6-trimethylphenyl)ethyne 、 1,4-bis(4-methoxyphenyl)-1,3-butadiyne 在 hydridotetakis(triphenylphosphine)rhodium(I) 、 二甲基苯基磷 作用下， 以 1,3-二甲基-2-咪唑啉酮 为溶剂， 反应 6.0h， 以58%的产率得到(Z)-1-hexylthio-1-(p-methoxyphenyl)-2-(p-methoxyphenylethynyl)-4-(2,4,6-trimethylphenyl)-1-buten-3-yne
  参考文献：
  名称：

  Rhodium-catalyzed carbothiolation reaction of 1-alkylthio-1-alkynes

  摘要：

  A rhodium complex derived from RhH(PPh(3))(4) and Me(2)PhP catalyzed the carbothiolation reaction of 1-alkylthio-1-alkynes and 1,4-diaryl-1,3-butadiynes giving (Z)-4-alkylthio-4-aryl-3-arylethynyl-3-buten-1-ynes. Terminal alkynes such as 1-decyne and (t-butylthio)acetylene underwent the carbothiolation reaction using a RhH(PPh(3))(4)-dppb catalyst. The reactions proceeded via cis-addition with C-C bond formation at the less hindered acetylene carbon. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.12.065

文献信息

• Rhodium-catalyzed carbothiolation reaction of 1-alkylthio-1-alkynes
  作者：Mieko Arisawa、Yui Igarashi、Yoko Tagami、Masahiko Yamaguchi、Chizuko Kabuto

  DOI：10.1016/j.tetlet.2010.12.065

  日期：2011.2

  A rhodium complex derived from RhH(PPh(3))(4) and Me(2)PhP catalyzed the carbothiolation reaction of 1-alkylthio-1-alkynes and 1,4-diaryl-1,3-butadiynes giving (Z)-4-alkylthio-4-aryl-3-arylethynyl-3-buten-1-ynes. Terminal alkynes such as 1-decyne and (t-butylthio)acetylene underwent the carbothiolation reaction using a RhH(PPh(3))(4)-dppb catalyst. The reactions proceeded via cis-addition with C-C bond formation at the less hindered acetylene carbon. (C) 2011 Published by Elsevier Ltd.