tert-butyl-carbamic acid 2-oxo-2-phenyl-ethyl ester | 13098-02-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl-carbamic acid 2-oxo-2-phenyl-ethyl ester
• 英文别名: phenacyl N-tert-butylcarbamate
• CAS: 13098-02-7
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: ZIFSNMPORBEGNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl-carbamic acid 2-oxo-2-phenyl-ethyl ester 以 溶剂黄146 为溶剂， 生成 3-tert-butyl-4-phenyl-3H-oxazol-2-one
  参考文献：
  名称：

  Saettone,M.F. et al., Gazzetta Chimica Italiana, 1966, vol. 96, p. 1615 - 1629

  摘要：

  DOI：

文献信息

• Spiro-thiazolones
  申请人：Hoffmann-La Roche Inc.

  公开号：US10092551B2

  公开（公告）日：2018-10-09

  Spiro-thiazolones of formula I wherein X1, X2, X3, X4, R2, R3, R4, R5, R6 and R7 are as defined herein, which act as V1a receptor modulators, and in particular as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments for treatment of inappropriate secretion of vasopressin, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, aggressive behavior and phase shift sleep disorders, in particular jetlag.

  式 I 的螺噻唑啉酮 其中 X1、X2、X3、X4、R2、R3、R4、R5、R6 和 R7 如本文所定义，它们可作为 V1a 受体调节剂，尤其是 V1a 受体拮抗剂，其制造方法、含有它们的药物组合物以及它们作为药物的用途可用于治疗血管加压素分泌不当、焦虑症、抑郁症、强迫症、自闭症谱系障碍、精神分裂症、攻击行为和相移睡眠障碍，尤其是时差。
• SPIRO-THIAZOLONES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20170246153A1

  公开（公告）日：2017-08-31

  Spiro-thiazolones of formula I wherein X 1 , X 2 , X 3 , X 4 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined herein, which act as V1a receptor modulators, and in particular as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments for treatment of inappropriate secretion of vasopressin, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, aggressive behavior and phase shift sleep disorders, in particular jetlag.