Pentanedinitrile, 3-(cyanomethyl)-3-methyl- | 201421-85-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Pentanedinitrile, 3-(cyanomethyl)-3-methyl-
• 英文别名: 3-(cyanomethyl)-3-methylpentanedinitrile
• CAS: 201421-85-4
• 化学式: C₈H₉N₃
• 分子量: 147.18
• InChiKey: GKJPOKFGLFKNLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Pentanedinitrile, 3-(cyanomethyl)-3-methyl- 在 甲基氯化镁 作用下， 以14%的产率得到2-氨基-4,6-二甲基吡啶
  参考文献：
  名称：

  Synthesis of 1,1,1-ethanetriacetonitrile1, precursor of 6-Substituted-4-methyl-2-aminopyridines

  摘要：

  1,1,1-ethanetriacetonitrile la, a new symmetrical tridentate ligand has been prepared from 3-methylpentenedioic acid diethylester. 6-Substituted-4-methyl-2-aminopyridines were obtained through organometallic additions on 1a. (C) 1997 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)10596-2
• 作为产物：
  描述：

  Methyl 2,4-dicyano-3-(cyanomethyl)-3-methylbutanoate 在 caesium carbonate 、 4-氨基苯硫酚 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以72%的产率得到Pentanedinitrile, 3-(cyanomethyl)-3-methyl-
  参考文献：
  名称：

  Synthesis of 1,1,1-ethanetriacetonitrile1, precursor of 6-Substituted-4-methyl-2-aminopyridines

  摘要：

  1,1,1-ethanetriacetonitrile la, a new symmetrical tridentate ligand has been prepared from 3-methylpentenedioic acid diethylester. 6-Substituted-4-methyl-2-aminopyridines were obtained through organometallic additions on 1a. (C) 1997 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)10596-2

文献信息

• Process for producing cycloalkylcarboxiamido-pyridine benzoic acids
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2639224B1

  公开（公告）日：2016-08-24
• Synthesis of 1,1,1-ethanetriacetonitrile1, precursor of 6-Substituted-4-methyl-2-aminopyridines
  作者：Stéphane Mathé、André Rassat

  DOI：10.1016/s0040-4039(97)10596-2

  日期：1998.1

  1,1,1-ethanetriacetonitrile la, a new symmetrical tridentate ligand has been prepared from 3-methylpentenedioic acid diethylester. 6-Substituted-4-methyl-2-aminopyridines were obtained through organometallic additions on 1a. (C) 1997 Published by Elsevier Science Ltd. All rights reserved.