S,S'-[2-(Methylcyclohexylamino)trimethylene ]bis-p-toluenethiosulfonate | 30125-07-6

• 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: S,S'-[2-(Methylcyclohexylamino)trimethylene ]bis-p-toluenethiosulfonate
• 英文别名: N-[1,3-bis[(4-methylphenyl)sulfonylsulfanyl]propan-2-yl]-N-methylcyclohexanamine
• CAS: 30125-07-6
• 化学式: C₂₄H₃₃NO₄S₄
• 分子量: 527.794
• InChiKey: FVUDFQSFOBEFDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Novel process for producing thiolsulfonic acid derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0140352A2

  公开（公告）日：1985-05-08

  This invention relates to a process for producing a thiolsulfonic acid derivative of the general formula: wherein each of R, and R2 is independently a lower alkyl group or a 5- or 6-membered cycloalkyl group, or alternatively R, and R2 together with the adjacent nitrogen atom form a 5- or 6-membered heterocyclic group which may further contain an oxygen, sulfur or nitrogen atom; and R3 is (1) an aryl group which may optionally be substituted by a lower alkyl group, a halogen, a lower alkoxy group or a lower alkylthio group, (2) a lower alkyl group which may optionally be substituted by a lower alkoxy group, (3) an aralkyl group or (4) a cycloalkyl group, or a salt thereof, which comprises reacting a compound of the general formula: wherein R, and R2 are as defined above, or a salt thereof with a compound of the general formula: wherein R3 is as defined above, or a salt thereof under an acid condition. The compound (I) or a salt thereof is produced in high purity and in high yield according to the process of this invention.

  本发明涉及一种生产通式为硫醇磺酸衍生物的工艺： 其中R和R2各自独立地为低级烷基或5或6元环烷基，或者R和R2与相邻的氮原子一起形成5或6元杂环基团，该杂环基团可进一步含有氧原子、硫原子或氮原子；和 R3 是(1)可任选被低级烷基、卤素、低级烷氧基或低级烷硫基取代的芳基，(2)可任选被低级烷氧基取代的低级烷基，(3)芳烷基或(4)环烷基，或其盐，包括使通式化合物反应： 其中 R 和 R2 如上定义，或其盐与通式如下的化合物反应： 其中 R3 如上定义的化合物或其盐在酸性条件下反应。 根据本发明的工艺，可以生产出高纯度和高产率的化合物 (I) 或其盐。
• US4910331A
  申请人：——

  公开号：US4910331A

  公开（公告）日：1990-03-20