3-(4-Chlorophenyl)pyrrolidine-2-carboxylic acid | 851587-83-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-(4-Chlorophenyl)pyrrolidine-2-carboxylic acid
• 英文别名: 3-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
• CAS: 851587-83-2
• 化学式: C₁₁H₁₂ClNO₂
• 分子量: 225.675
• InChiKey: LNGZYRIUCRXHCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-Chlorophenyl)pyrrolidine-2-carboxylic acid 、 二碳酸二叔丁酯 在 碳酸氢钠 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 3-(4-Chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
  参考文献：
  名称：

  Design and synthesis of 3-arylpyrrolidine-2-carboxamide derivatives as melanocortin-4 receptor ligands

  摘要：

  Based on 3-phenylpropionamides, a series of 3-arylpyrrolidine-2-carboxamide derivatives was designed and synthesized to study the effect of cyclizations as melanocortin-4 receptor ligands. It was found that the 2R, 3R-pyrrolidine isomer possessed the most potent affinity among the four stereoisomers. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.125
• 作为产物：
  描述：

  以 甲苯 为溶剂， 反应 1.0h， 生成 3-(4-Chlorophenyl)pyrrolidine-2-carboxylic acid
  参考文献：
  名称：

  Design and synthesis of 3-arylpyrrolidine-2-carboxamide derivatives as melanocortin-4 receptor ligands

  摘要：

  Based on 3-phenylpropionamides, a series of 3-arylpyrrolidine-2-carboxamide derivatives was designed and synthesized to study the effect of cyclizations as melanocortin-4 receptor ligands. It was found that the 2R, 3R-pyrrolidine isomer possessed the most potent affinity among the four stereoisomers. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.125