1-hexylthio-2-(1-methoxycyclohexyl)ethyne | 1015424-03-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-hexylthio-2-(1-methoxycyclohexyl)ethyne
• CAS: 1015424-03-9
• 化学式: C₁₅H₂₆OS
• 分子量: 254.437
• InChiKey: UAJHMMWSTHICHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  17.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-hexylthio-2-(1-methoxycyclohexyl)ethyne 在 Rh(H)(PEt₃)₃ 二苯基甲氧基膦 作用下， 以 various solvent(s) 为溶剂， 反应 12.0h， 以46%的产率得到1,4-bis(1-methoxycyclohexyl)buta-1,3-diyne
  参考文献：
  名称：

  Two types of rhodium-catalyzed CS/CS metathesis reactions: formation of CS/CS bonds and CC/SS bonds

  摘要：

  A rhodium complex catalyzes two types of single bond metathesis reactions of two CS bonds depending on the added ligand: CS/CS to CS/CS metathesis and CS/CS to CC/SS metathesis. In the presence of a catalytic amount of RhH(PPh3)(4) and 1,1 '-bis(diphenylphosphino)ferrocene (dppf), two 1-alkylthioalkynes exchange alkylthio groups to give equilibrium mixtures of four 1-alkylthioalkynes. When tris(p-methoxyphenyl)phosphine or diphenylmethylphosphine is used, 1,3-butadiynes are obtained. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.040

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.