2,2'-dimercapto-6,6'-dimethoxy-1,1'-biphenyl | 215931-08-1

• 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: 2,2'-dimercapto-6,6'-dimethoxy-1,1'-biphenyl
• 英文别名: 3-Methoxy-2-(2-methoxy-6-sulfanylphenyl)benzenethiol
• CAS: 215931-08-1；216260-62-7；216260-63-8
• 化学式: C₁₄H₁₄O₂S₂
• 分子量: 278.396
• InChiKey: HNPCJTJNEOFHDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  20.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2'-dimercapto-6,6'-dimethoxy-1,1'-biphenyl 在 碘 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到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：

  Dimethyl-thiocarbamic acid O-(2'-dimethylthiocarbamoyloxy-6,6'-dimethoxy-biphenyl-2-yl) ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 7.37h， 生成 2,2'-dimercapto-6,6'-dimethoxy-1,1'-biphenyl
  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