1-phenethyl-pyrrolidin-3-one | 1488-11-5

• 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: 1-phenethyl-pyrrolidin-3-one
• 英文别名: 1-(2-Phenylethyl)pyrrolidin-3-one
• CAS: 1488-11-5
• 化学式: C₁₂H₁₅NO
• mdl: MFCD11640505
• 分子量: 189.257
• InChiKey: YITTZIIZLUCBHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-phenethyl-pyrrolidin-3-one 、 氰化钠 在 氨 、 magnesium sulfate 、 氯化铵 作用下， 以 甲醇 为溶剂， 生成 3-Amino-1-(2-phenylethyl)pyrrolidine-3-carbonitrile
  参考文献：
  名称：

  Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors

  摘要：

  The synthesis and in vitro activities of a series of suceinyl-nitrile-based inhibitors of Cathepsin S are described. Several members of this class show nanomolar inhibition of the target enzyme as well as cellular potency. The inhibitors displaying the greatest potency contain N-alkyl substituted piperidine and pyrrolidine rings spiro-fused to the alpha-carbon of the P1 residue. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.046
• 作为产物：
  描述：

  1-phenethylpyrrolidin-3-ol 在 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 1-phenethyl-pyrrolidin-3-one
  参考文献：
  名称：

  Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors

  摘要：

  The synthesis and in vitro activities of a series of suceinyl-nitrile-based inhibitors of Cathepsin S are described. Several members of this class show nanomolar inhibition of the target enzyme as well as cellular potency. The inhibitors displaying the greatest potency contain N-alkyl substituted piperidine and pyrrolidine rings spiro-fused to the alpha-carbon of the P1 residue. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.046

文献信息

• PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL
  申请人：KANTO DENKA KOGYO CO., LTD.

  公开号：US20190169107A1

  公开（公告）日：2019-06-06

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种简单的生产过程，使用单羟基全氟烷作为起始物质来制备全氟烷基化合物，该全氟烷基化合物是有机电子材料、药物、农药、功能性聚合物材料等的重要中间体。使用单羟基全氟烷与碱反应，再与羰基化合物反应，可以产生具有全氟烷基的醇。例如，可以将氢氧化钾与三氟甲烷相互作用，并诱导与羰基化合物反应，以产生具有三氟甲基基团的醇。
• Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material
  申请人：KANTO DENKA KOGYO CO., LTD.

  公开号：US10450253B2

  公开（公告）日：2019-10-22

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种以单氢全氟烷烃为起始原料的全氟烷基化合物的简单生产工艺，全氟烷基化合物是有机电子材料、医药、农药、功能聚合物材料等的重要中间体。将单氢全氟烷烃与碱反应，然后与羰基化合物反应，生成具有全氟烷基的醇。例如，氢氧化钾与三氟甲烷发生作用，然后与羰基化合物发生反应，生成具有三氟甲基的醇。
• Casy,A.F. et al., Journal of Pharmacy and Pharmacology, 1965, vol. 17, p. 157 - 166
  作者：Casy,A.F. et al.

  DOI：——

  日期：——
• Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors
  作者：Younes Bekkali、David S. Thomson、Raj Betageri、Michel J. Emmanuel、Ming-Hong Hao、Eugene Hickey、Weimin Liu、Usha Patel、Yancey D. Ward、Erick R.R. Young、Richard Nelson、Alison Kukulka、Maryanne L. Brown、Kathy Crane、Della White、Dorothy M. Freeman、Mark E. Labadia、Jessi Wildeson、Denice M. Spero

  DOI：10.1016/j.bmcl.2007.02.046

  日期：2007.5

  The synthesis and in vitro activities of a series of suceinyl-nitrile-based inhibitors of Cathepsin S are described. Several members of this class show nanomolar inhibition of the target enzyme as well as cellular potency. The inhibitors displaying the greatest potency contain N-alkyl substituted piperidine and pyrrolidine rings spiro-fused to the alpha-carbon of the P1 residue. (C) 2007 Elsevier Ltd. All rights reserved.