isovaleryl-thiourea | 18469-11-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: isovaleryl-thiourea
• 英文别名: Isovaleryl-thioharnstoff；N-carbamothioyl-3-methylbutanamide
• CAS: 18469-11-9
• 化学式: C₆H₁₂N₂OS
• 分子量: 160.24
• InChiKey: KKRYVYLVJFNNGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  87.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  isovaleryl-thiourea 、 2-Chloro-3-(2,5-dichloro-phenyl)-propionaldehyde 以 乙醇 为溶剂， 生成 N-[5-(2,5-dichlorobenzyl)-1,3-thiazol-2-yl]-4-methylbutanamide
  参考文献：
  名称：

  Heterocyclic Syntheses on the Basis of Arylation Products of Unsaturated Compounds: X. 3-Aryl-2-chloropropanals as Reagents for the Synthesis of 2-Amino-1,3-thiazole Derivatives

  摘要：

  Meerwein reaction of arenediazonium chlorides with acrolein gave 3-aryl-2-chloropropanals which were brought into cyclocondensation with thiourea. The resulting 2-amino-5-benzyl-1,3-thiazoles were acylated with carboxylic acid chlorides and plithalic anhydride to afford, respectively, 2-acylamino-5-benzyl-1,3-thiazoles and N-(5-benzyl- 1,3-thiazol-2-yl)phthalimides.

  DOI：

  10.1023/b:rujo.0000034976.75646.85
• 作为产物：
  描述：

  isovaleryl isothiocyanate 在 乙醇 、 氨 作用下， 生成 isovaleryl-thiourea
  参考文献：
  名称：

  Dixon, Journal of the Chemical Society, 1895, vol. 67, p. 1047

  摘要：

  DOI：

文献信息

• Heterocyclic Syntheses on the Basis of Arylation Products of Unsaturated Compounds: X. 3-Aryl-2-chloropropanals as Reagents for the Synthesis of 2-Amino-1,3-thiazole Derivatives
  作者：N. D. Obushak、V. S. Matiichuk、R. Ya. Vasylyshin、Yu. V. Ostapyuk

  DOI：10.1023/b:rujo.0000034976.75646.85

  日期：2004.3

  Meerwein reaction of arenediazonium chlorides with acrolein gave 3-aryl-2-chloropropanals which were brought into cyclocondensation with thiourea. The resulting 2-amino-5-benzyl-1,3-thiazoles were acylated with carboxylic acid chlorides and plithalic anhydride to afford, respectively, 2-acylamino-5-benzyl-1,3-thiazoles and N-(5-benzyl- 1,3-thiazol-2-yl)phthalimides.
• Dixon, Journal of the Chemical Society, 1895, vol. 67, p. 1047
  作者：Dixon

  DOI：——

  日期：——