(R)-tert-butyl 3-(phenylamino)pyrrolidine-1-carboxylate | 1178903-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (R)-tert-butyl 3-(phenylamino)pyrrolidine-1-carboxylate
• 英文别名: 1-N-Boc-(3R)-3-(phenylamino)pyrrolidine；tert-butyl (3R)-3-anilinopyrrolidine-1-carboxylate
• CAS: 1178903-66-6
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.352
• InChiKey: NACSSYAFISGJHD-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-溴-1-(4-甲氧基苄基)-1H-吲唑 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 (R)-1-Boc-3-氨基吡咯烷 在 tris-(dibenzylideneacetone)dipalladium(0) 、 sodium t-butanolate 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以62%的产率得到(R)-tert-butyl 3-(1-(4-methoxybenzyl)-1H-indazol-5-ylamino)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  Indazoles: Regioselective Protection and Subsequent Amine Coupling Reactions

  摘要：

  Indazoles are unselectively protected under strongly basic conditions to give a mixture at N-1 and N-2. Under mildly acidic conditions, regioselective protection at N-2 takes place. Thermodynamic conditions lead to regioselective protection at N-1. This trend applies to various substituted indazoles. Protected 5-bromoindazoles participate in Buchwald reactions with a range of amines to generate novel derivative.

  DOI：

  10.1021/jo9006656

文献信息

• [EN] HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES
  申请人：KYORIN SEIYAKU KK

  公开号：WO2015129927A1

  公开（公告）日：2015-09-03

  Provided herein are compounds of formula I and compositions containing the compounds. The compounds and compositions are useful in the methods of inhibiting the action of ERK5, a BET family protein or both. In certain embodiments, the compounds and compositions are useful in the prevention, amelioration or treatment of a ERK5 -mediated disease, a BET protein-mediated disease or both.

  本文提供了公式I的化合物和含有这些化合物的组合物。这些化合物和组合物在抑制ERK5的作用、BET家族蛋白的作用或两者的方法中是有用的。在某些实施方式中，这些化合物和组合物在预防、改善或治疗ERK5介导的疾病、BET蛋白介导的疾病或两者的方法中是有用的。
• HETEROCYCLIC COMPOUNDS
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：EP3110819A1

  公开（公告）日：2017-01-04
• Indazoles: Regioselective Protection and Subsequent Amine Coupling Reactions
  作者：David J. Slade、Nicholas F. Pelz、Wanda Bodnar、John W. Lampe、Paul S. Watson

  DOI：10.1021/jo9006656

  日期：2009.8.21

  Indazoles are unselectively protected under strongly basic conditions to give a mixture at N-1 and N-2. Under mildly acidic conditions, regioselective protection at N-2 takes place. Thermodynamic conditions lead to regioselective protection at N-1. This trend applies to various substituted indazoles. Protected 5-bromoindazoles participate in Buchwald reactions with a range of amines to generate novel derivative.