tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methylamino]-2,2-dicyanoethenyl]piperidin-3-yl]carbamate | 894794-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methylamino]-2,2-dicyanoethenyl]piperidin-3-yl]carbamate
• CAS: 894794-68-4
• 化学式: C₂₁H₂₆ClN₅O₂
• 分子量: 415.923
• InChiKey: PYNCENVNDZRBBO-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methylamino]-2,2-dicyanoethenyl]piperidin-3-yl]carbamate 在 lithium amide 、 potassium carbonate 、 叔丁醇 作用下， 以 正庚烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 2.0h， 生成 ethyl 3-amino-5-{(3R)-3-[(tert-butoxycarbonyl)-amino]piperidin-1-yl}-1-(2-chlorobenzyl)-4-cyano-1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  One-pot synthesis of 5-amino 4-cyano pyrrole derivatives

  摘要：

  One-pot synthesis of 5-amino 4-cyano pyrrole derivatives is herein disclosed. The described method consists of four steps and gives new pyrrole derivatives in moderate to good yields. This synthesis can be used for a large scale preparation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.080
• 作为产物：
  描述：

  (R)-3-Boc-氨基哌啶 在 potassium carbonate 作用下， 以 戊腈 为溶剂， 反应 6.0h， 生成 tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methylamino]-2,2-dicyanoethenyl]piperidin-3-yl]carbamate
  参考文献：
  名称：

  One-pot synthesis of 5-amino 4-cyano pyrrole derivatives

  摘要：

  One-pot synthesis of 5-amino 4-cyano pyrrole derivatives is herein disclosed. The described method consists of four steps and gives new pyrrole derivatives in moderate to good yields. This synthesis can be used for a large scale preparation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.080

文献信息

• BICYCLIC PYRROLE DERIVATIVES
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1829877A1

  公开（公告）日：2007-09-05

  Compounds represented by the general formula (I), prodrugs thereof, or pharmaceutically acceptable salts of both are provided as compounds which have high DPP-IV inhibiting activity and are improved in safety, toxicity and so on: (I) wherein the solid line and dotted line between A1 and A2 represents a double bond (A1=A2) or the like; A1 is C(R4) or the like; A2 is nitrogen atom or the like; R1 is hydrogen atom, optionally substituted alkly group, or the like; R2 is hydrogen atom, optionally substituted alkyl group, or the like; R3 is hydrogen atom, halogen atom, or the like; R4 is hydrogen atom, hydroxyl, halogen atom, or the like; and Y is a group represented by the general formula (A) or the like; (A) [wherein m1 is 0, 1, 2 or 3; and the group (A) may be freed from R6 or substituted with one or two R6's which are each independently halogen atom or the like.]

  通式(I)代表的化合物、其原药或二者的药学上可接受的盐类具有较高的 DPP-IV 抑制活性，并在安全性、毒性等方面有所改善：(I) 其中 A1 和 A2 之间的实线和虚线代表双键（A1=A2）或类似物；A1 是 C(R4)或类似物；A2 是氮原子或类似物；R1 是氢原子、任选取代的烷基或类似物；R2 是氢原子、任选取代的烷基或类似物；R3 是氢原子、卤素原子或类似物；R4 是氢原子、羟基、卤素原子或类似物；Y 是通式（A）所代表的基团或类似物； (A) [其中 m1 是 0、1、2 或 3；基团 (A) 可以不含 R6，也可以被一个或两个各自独立为卤素原子或类似物的 R6 取代。］
• WO2006/68163
  申请人：——

  公开号：——

  公开（公告）日：——