benzyl-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-amine | 92043-95-3

• 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: benzyl-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-amine
• 英文别名: 2-Benzylamino-5-isobutyl-1.3.4-thiadiazol；N-benzyl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
• CAS: 92043-95-3
• 化学式: C₁₃H₁₇N₃S
• 分子量: 247.364
• InChiKey: PEOZEGUIGVRCKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二吡啶硫碳酸酯 、 苄胺 、 异戊醛 生成 benzyl-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-amine
  参考文献：
  名称：

  Versatile strategies for the solid phase synthesis of small heterocyclic scaffolds: [1,3,4]-thiadiazoles and [1,3,4]-oxadiazoles

  摘要：

  New robust protocols for the solid phase synthesis of 5-alkylthio-, 5-alkyl/aryl-, and 5-acylamino-2-alkylamino-[1,3,4]-thiadiazoles are described based oil a common resin bound thiosemicarbazide. A protocol for the solid phase synthesis of 2-alkyl/aryl-amino-5-alkylamino-[1,3,4]-oxadiazoles from a resin bound semicarbazide is likewise reported. The protocols have been verified by the preparation of four small libraries that all gave products ill good to excellent yields and Purity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.084

文献信息

• Versatile strategies for the solid phase synthesis of small heterocyclic scaffolds: [1,3,4]-thiadiazoles and [1,3,4]-oxadiazoles
  作者：Rune Severinsen、John Paul Kilburn、Jesper F. Lau

  DOI：10.1016/j.tet.2005.03.084

  日期：2005.6

  New robust protocols for the solid phase synthesis of 5-alkylthio-, 5-alkyl/aryl-, and 5-acylamino-2-alkylamino-[1,3,4]-thiadiazoles are described based oil a common resin bound thiosemicarbazide. A protocol for the solid phase synthesis of 2-alkyl/aryl-amino-5-alkylamino-[1,3,4]-oxadiazoles from a resin bound semicarbazide is likewise reported. The protocols have been verified by the preparation of four small libraries that all gave products ill good to excellent yields and Purity. (c) 2005 Elsevier Ltd. All rights reserved.