3-(10H-dipyrido[3,4-b:3',4'-e][1,4]thiazin-10-yl)propan-1-amine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(10H-dipyrido[3,4-b:3',4'-e][1,4]thiazin-10-yl)propan-1-amine
• 英文别名: 10-(3'-aminopropyl)-2,7-diazaphenothiazine；3-(2-Thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)propan-1-amine
• 化学式: C₁₃H₁₄N₄S
• 分子量: 258.347
• InChiKey: BDUAPQOBXXLYGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  氯乙基异氰酸酯 、 3-(10H-dipyrido[3,4-b:3',4'-e][1,4]thiazin-10-yl)propan-1-amine 以 乙醇 为溶剂， 反应 24.5h， 以68%的产率得到1-[3-(10H-dipyrido[3,4-b:3',4'-e][1,4]thiazin-10-yl)propyl]-3-(2-chloroethyl)urea
  参考文献：
  名称：

  Acyl and Sulfonyl Derivatives of 10-Aminoalkyl-2,7-diazaphenothiazines

  摘要：

  Reaction of 3,3'-dinitro-4,4'-dipyridinyl disulfide (1) with sodium hydroxide in DMF led to 10H-2,7-diazaphenothiazine (4). N-Alkylation of (4) with phthalimidopropyl and phthalimidobutyl bromides gave phthalimidoalkyl derivatives (5) and (6) which were hydrolyzed to aminoalkyldiazaphenothiazines (7) and (8). N-Acylation with acetyl anhydride, benzoyl chloride, ethyl chloroformate and 2-chloroethyl isocyanate gave N-acyl derivatives (9-16). N-Sulfonylation with methanesulfonyl and p-toluenesulfonyl chlorides led to N-sulfonyl derivatives (17-20).

  DOI：

  10.3987/com-08-11622
• 作为产物：
  描述：

  N-[3-(10H-dipyrido[3,4-b:3',4'-e][1,4]thiazin-10-yl)propyl]phthalimide 在 肼 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以72%的产率得到3-(10H-dipyrido[3,4-b:3',4'-e][1,4]thiazin-10-yl)propan-1-amine
  参考文献：
  名称：

  Acyl and Sulfonyl Derivatives of 10-Aminoalkyl-2,7-diazaphenothiazines

  摘要：

  Reaction of 3,3'-dinitro-4,4'-dipyridinyl disulfide (1) with sodium hydroxide in DMF led to 10H-2,7-diazaphenothiazine (4). N-Alkylation of (4) with phthalimidopropyl and phthalimidobutyl bromides gave phthalimidoalkyl derivatives (5) and (6) which were hydrolyzed to aminoalkyldiazaphenothiazines (7) and (8). N-Acylation with acetyl anhydride, benzoyl chloride, ethyl chloroformate and 2-chloroethyl isocyanate gave N-acyl derivatives (9-16). N-Sulfonylation with methanesulfonyl and p-toluenesulfonyl chlorides led to N-sulfonyl derivatives (17-20).

  DOI：

  10.3987/com-08-11622

文献信息

• Acyl and Sulfonyl Derivatives of 10-Aminoalkyl-2,7-diazaphenothiazines
  作者：Krystian Pluta、Beata Morak-Młodawska

  DOI：10.3987/com-08-11622

  日期：——

  Reaction of 3,3'-dinitro-4,4'-dipyridinyl disulfide (1) with sodium hydroxide in DMF led to 10H-2,7-diazaphenothiazine (4). N-Alkylation of (4) with phthalimidopropyl and phthalimidobutyl bromides gave phthalimidoalkyl derivatives (5) and (6) which were hydrolyzed to aminoalkyldiazaphenothiazines (7) and (8). N-Acylation with acetyl anhydride, benzoyl chloride, ethyl chloroformate and 2-chloroethyl isocyanate gave N-acyl derivatives (9-16). N-Sulfonylation with methanesulfonyl and p-toluenesulfonyl chlorides led to N-sulfonyl derivatives (17-20).