valeryl-thiourea | 102312-72-1

• 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: valeryl-thiourea
• 英文别名: Valeryl-thioharnstoff；N-carbamothioylpentanamide
• CAS: 102312-72-1
• 化学式: C₆H₁₂N₂OS
• 分子量: 160.24
• InChiKey: PKENCYBXCVFWSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  3
• 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：

  valeryl-thiourea 、 2-Chloro-3-(2,3-dichloro-phenyl)-propionaldehyde 以 乙醇 为溶剂， 生成 N-[5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl]pentanamide
  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

文献信息

• Photopolymerisierbare und dualhärtende Dentalwerkstoffe auf der Basis von Thioharnstoffderivaten und Bisacyldialkylgermanium-Verbindungen
  申请人：Ivoclar Vivadent AG

  公开号：EP2921154B1

  公开（公告）日：2017-03-08
• Monomermischung zur Herstellung von Dentalwerkstoffen
  申请人：Ivoclar Vivadent AG

  公开号：EP2921156B1

  公开（公告）日：2019-10-02
• PHOTOPOLYMERISIERBARE UND DUALHÄRTENDE DENTALWERKSTOFFE AUF DER BASIS VON THIOHARNSTOFFDERIVATEN
  申请人：Ivoclar Vivadent AG

  公开号：EP3119377B1

  公开（公告）日：2021-12-29
• 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.