[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] [3-methoxy-2-[2-methoxy-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylsulfanylphenyl]phenyl]sulfanylformate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] [3-methoxy-2-[2-methoxy-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylsulfanylphenyl]phenyl]sulfanylformate
• 化学式: C₃₆H₅₀O₆S₂
• 分子量: 642.921
• InChiKey: JXAQDJWEJLTZSP-AXWMRNDKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  44
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] [3-methoxy-2-[2-methoxy-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylsulfanylphenyl]phenyl]sulfanylformate 在 lithium aluminium tetrahydride 、 碘 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 1,10-Dimethoxy-dibenzo[1,2]dithiine
  参考文献：
  名称：

  Preparation and resolution of 2,2′-dimercapto-6,6′-dimethoxy-1,1′-biphenyl: a C2-symmetric sulfur building block

  摘要：

  The preparation of the title dimercaptan 1 starting from 2,2'-dihydroxy-6,6'-dimethoxy-1,1'-biphenyl 2 is described, Resolution of dimercaptan 1 was performed using (-)-(1R,2S,5R)-menthyl chloroformate as a chiral resolving agent. The procedure affords dimercaptan (+)-1 and (-)-1 in 98% ee and 93% ee, respectively. A new and direct intermolecular Ullmann coupling resulting in an improved preparation of diol 2 is also reported. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00278-x
• 作为产物：
  描述：

  (1R,2S,5R)-Menthyl chloroformate 、 2,2'-dimercapto-6,6'-dimethoxy-1,1'-biphenyl 在 三乙胺 作用下， 以 苯 为溶剂， 反应 1.0h， 以90%的产率得到[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] [3-methoxy-2-[2-methoxy-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylsulfanylphenyl]phenyl]sulfanylformate
  参考文献：
  名称：

  Preparation and resolution of 2,2′-dimercapto-6,6′-dimethoxy-1,1′-biphenyl: a C2-symmetric sulfur building block

  摘要：

  The preparation of the title dimercaptan 1 starting from 2,2'-dihydroxy-6,6'-dimethoxy-1,1'-biphenyl 2 is described, Resolution of dimercaptan 1 was performed using (-)-(1R,2S,5R)-menthyl chloroformate as a chiral resolving agent. The procedure affords dimercaptan (+)-1 and (-)-1 in 98% ee and 93% ee, respectively. A new and direct intermolecular Ullmann coupling resulting in an improved preparation of diol 2 is also reported. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00278-x

文献信息

• Preparation and resolution of 2,2′-dimercapto-6,6′-dimethoxy-1,1′-biphenyl: a C2-symmetric sulfur building block
  作者：Giovanna Delogu、Davide Fabbri、Maria Antonietta Dettori

  DOI：10.1016/s0957-4166(98)00278-x

  日期：1998.8

  The preparation of the title dimercaptan 1 starting from 2,2'-dihydroxy-6,6'-dimethoxy-1,1'-biphenyl 2 is described, Resolution of dimercaptan 1 was performed using (-)-(1R,2S,5R)-menthyl chloroformate as a chiral resolving agent. The procedure affords dimercaptan (+)-1 and (-)-1 in 98% ee and 93% ee, respectively. A new and direct intermolecular Ullmann coupling resulting in an improved preparation of diol 2 is also reported. (C) 1998 Elsevier Science Ltd. All rights reserved.