(R)-N-(2,3-dihydrobenzofuran-4-yl)-3-(amino)pyrrolidine | 319478-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: (R)-N-(2,3-dihydrobenzofuran-4-yl)-3-(amino)pyrrolidine
• 英文别名: (3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-amine
• CAS: 319478-28-9
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.272
• InChiKey: LGUWHDCXLIBQST-SECBINFHSA-N

物化性质

• 沸点：
  369.4±42.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  异氰酸乙酯 、 (R)-N-(2,3-dihydrobenzofuran-4-yl)-3-(amino)pyrrolidine 以 苯 为溶剂， 生成 (R)-N-[N-(2,3-dihydrobenzofuran-4-yl)-pyrrolidin-3-yl]-N'-ethyl urea
  参考文献：
  名称：

  Heterocyclic aminopyrrolidine derivatives as melatoninergic agents

  摘要：

  A series of chiral heterocyclic aminopyrrolidine derivatives was synthesized as novel melatoninergic ligands. Binding affinity assays were performed on cloned human MT1 and MT2 receptors, stably expressed in NIH3T3 cells. Compound 16 was identified as an orally bioavailable agonist at MT1 and MT2 melatonin receptors with low vasoconstrictive activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.030
• 作为产物：
  描述：

  2,3-dihydro-1-benzofuran-4-yl trifluoromethanesulfonate 在 盐酸 、 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 生成 (R)-N-(2,3-dihydrobenzofuran-4-yl)-3-(amino)pyrrolidine
  参考文献：
  名称：

  Heterocyclic aminopyrrolidine derivatives as melatoninergic agents

  摘要：

  A series of chiral heterocyclic aminopyrrolidine derivatives was synthesized as novel melatoninergic ligands. Binding affinity assays were performed on cloned human MT1 and MT2 receptors, stably expressed in NIH3T3 cells. Compound 16 was identified as an orally bioavailable agonist at MT1 and MT2 melatonin receptors with low vasoconstrictive activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.030

文献信息

• Heterocyclic aminopyrrolidine derivatives as melatonergic agents
  申请人：Bristol-Meyers Squibb

  公开号：US06211225B1

  公开（公告）日：2001-04-03

  There is provided a novel series of heterocyclic aminopyrrolidine compounds of Formula I wherein R1, R2, R3, R4, W, Z and the wavy bond are as defined herein which bind to the human melatonin receptor and therefore are useful as melatonergic agents.

  提供了一系列新型的Formula I杂环氨基吡咯烷化合物，其中R1、R2、R3、R4、W、Z和波浪键如本文所定义，它们与人体褪黑素受体结合，因此可用作褪黑素类药物。
• HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP1189900B1

  公开（公告）日：2004-01-14
• EP1189900A4
  申请人：——

  公开号：EP1189900A4

  公开（公告）日：2002-07-31
• US6211225B1
  申请人：——

  公开号：US6211225B1

  公开（公告）日：2001-04-03
• [EN] HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS<br/>[FR] DERIVES D'AMINOPYRROLIDINE HETEROCYCLIQUES UTILISES EN TANT QU'AGENTS MELATONERGIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001002392A1

  公开（公告）日：2001-01-11

  There is provided a novel series of heterocyclic aminopyrrolidine compounds of Formula (I) wherein R?1, R2, R3, R4¿, W, Z and the wavy bond are as defined herein which bind to the human melatonin receptor and therefore are useful as melatonergic agents.