(S)-3,4-dichloro-2-methyl-N-neopentyl-N-(pyrrolidin-3-yl)benzamide | 1215091-57-8

• 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: (S)-3,4-dichloro-2-methyl-N-neopentyl-N-(pyrrolidin-3-yl)benzamide
• 英文别名: 3,4-dichloro-N-(2,2-dimethylpropyl)-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
• CAS: 1215091-57-8
• 化学式: C₁₇H₂₄Cl₂N₂O
• 分子量: 343.296
• InChiKey: JVIKPFIJPCEZJS-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到(S)-3,4-dichloro-2-methyl-N-neopentyl-N-(pyrrolidin-3-yl)benzamide
  参考文献：
  名称：

  Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: Part 2

  摘要：

  A second wave of potential SSRIs with high ease of synthetic accessibility were designed based on the reported selective serotonin re-uptake inhibitor litoxetine and our own previous work in this area. Preparation and subsequent optimisation yielded a range of potent and highly selective SSRIs. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.066

文献信息

• Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: Part 2
  作者：Mark Andrews、Alan Brown、Jean-Yves Chiva、David Fradet、David Gordon、Mark Lansdell、Malcolm MacKenny

  DOI：10.1016/j.bmcl.2009.08.066

  日期：2009.10

  A second wave of potential SSRIs with high ease of synthetic accessibility were designed based on the reported selective serotonin re-uptake inhibitor litoxetine and our own previous work in this area. Preparation and subsequent optimisation yielded a range of potent and highly selective SSRIs. (C) 2009 Elsevier Ltd. All rights reserved.