Thiocarbonic acid S-{2-[5-benzyloxy-2-(2,2,2-trifluoro-acetylamino)-phenylsulfanyl]-ethyl} ester O-tert-butyl ester | 175442-59-8

• 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: Thiocarbonic acid S-{2-[5-benzyloxy-2-(2,2,2-trifluoro-acetylamino)-phenylsulfanyl]-ethyl} ester O-tert-butyl ester
• CAS: 175442-59-8
• 化学式: C₂₂H₂₄F₃NO₄S₂
• 分子量: 487.564
• InChiKey: MMKOBUSMCUCAAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.53
• 重原子数：
  32.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Thiocarbonic acid S-{2-[5-benzyloxy-2-(2,2,2-trifluoro-acetylamino)-phenylsulfanyl]-ethyl} ester O-tert-butyl ester 在 盐酸 、 三氟化硼乙醚 、 乙硫醇 作用下， 生成 2-[2-Amino-5-(tert-butyl-dimethyl-silanyloxy)-phenylsulfanyl]-ethanethiol
  参考文献：
  名称：

  Synthesis of tetradentate bisamino-bisthiol complexes of oxorhenium(V) as structural mimics of steroids

  摘要：

  Two tetradentate chelate systems have been synthesized in order to prepare metal complexes with oxorhenium(V) whose structures will mimic that of steroids. The chelate system with amide/amine/thioether/thiol donor sites failed to give a stable complex, but the corresponding diamine chelate gave a stable complex.

  DOI：

  10.1016/0960-894x(96)00029-7
• 作为产物：
  描述：

  2-Amino-5-phenylmethoxybenzenethiol 在 lithium hydroxide 、 lithium bromide 作用下， 生成 Thiocarbonic acid S-{2-[5-benzyloxy-2-(2,2,2-trifluoro-acetylamino)-phenylsulfanyl]-ethyl} ester O-tert-butyl ester
  参考文献：
  名称：

  Synthesis of tetradentate bisamino-bisthiol complexes of oxorhenium(V) as structural mimics of steroids

  摘要：

  Two tetradentate chelate systems have been synthesized in order to prepare metal complexes with oxorhenium(V) whose structures will mimic that of steroids. The chelate system with amide/amine/thioether/thiol donor sites failed to give a stable complex, but the corresponding diamine chelate gave a stable complex.

  DOI：

  10.1016/0960-894x(96)00029-7