N-[2-[[2-(1,3-benzothiazol-2-ylamino)-5-morpholin-4-ylphenyl]disulfanyl]-4-morpholin-4-ylphenyl]-1,3-benzothiazol-2-amine | 1431792-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-[2-[[2-(1,3-benzothiazol-2-ylamino)-5-morpholin-4-ylphenyl]disulfanyl]-4-morpholin-4-ylphenyl]-1,3-benzothiazol-2-amine
• CAS: 1431792-59-4
• 化学式: C₃₄H₃₂N₆O₂S₄
• 分子量: 684.931
• InChiKey: ZJKISWHACVSXIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  182
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-(4-吗啉基)苯胺 、 2-巯基苯并噻唑 以 aq. phosphate buffer 、 乙腈 为溶剂， 以94%的产率得到N-[2-[[2-(1,3-benzothiazol-2-ylamino)-5-morpholin-4-ylphenyl]disulfanyl]-4-morpholin-4-ylphenyl]-1,3-benzothiazol-2-amine
  参考文献：
  名称：

  Electrochemical Method for the Synthesis of Disulfides of 2-(Benzo[d]thiazol(or oxazol)-2-ylamino)-5-morpholinobenzenethiol

  摘要：

  Electrochemical synthesis of two new disulfides of 2-(benzo[d]thiazol(or oxazol)-2-ylamino)-5-morpholinobenzene thiols was carried out via the electrooxidation of 4-morpholinoaniline in the presence of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole. Our results indicate that electro-generated p-quinonediimine participated in a Michael-type addition reaction with 2-SH-benzazoles and after intramolecular nucleophilic substitution reaction and electrooxidative disulfide bond formation were converted to the corresponding disulfide compounds.

  DOI：

  10.1021/jo302647r

文献信息

• Electrochemical Method for the Synthesis of Disulfides of 2-(Benzo[<i>d</i>]thiazol(or oxazol)-2-ylamino)-5-morpholinobenzenethiol
  作者：Roya Esmaili、Davood Nematollahi

  DOI：10.1021/jo302647r

  日期：2013.5.17

  Electrochemical synthesis of two new disulfides of 2-(benzo[d]thiazol(or oxazol)-2-ylamino)-5-morpholinobenzene thiols was carried out via the electrooxidation of 4-morpholinoaniline in the presence of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole. Our results indicate that electro-generated p-quinonediimine participated in a Michael-type addition reaction with 2-SH-benzazoles and after intramolecular nucleophilic substitution reaction and electrooxidative disulfide bond formation were converted to the corresponding disulfide compounds.