1,2-二甲基-1H-咪唑-4-甲腈 | 79080-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,2-二甲基-1H-咪唑-4-甲腈
• 英文名称: 1,2-dimethyl-4-imidazolecarbonitrile
• 英文别名: dimethyl-1,2 cyano-4 imidazole；4-cyano-1,2-dimethylimidazole；1,2-Dimethylimidazole-4-carbonitrile
• CAS: 79080-38-9
• 化学式: C₆H₇N₃
• mdl: MFCD01646149
• 分子量: 121.142
• InChiKey: DEVNETUWQSPIRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,5-二甲基-1H-吡唑-3-甲腈 以5%的产率得到
  参考文献：
  名称：

  BARLTROP, J. A.;DAY, A. C.;MACK, A. G.;SHAHRISA, AZIZ;WAKAMATSU, SHIGERU, J. CHEM. SOC. CHEM. COMMUN., 1981, N 12, 604-606

  摘要：

  DOI：

文献信息

• PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20140045789A1

  公开（公告）日：2014-02-13

  The present invention is directed to a process for the preparation of heterocyclic derivatives of formula I wherein J, X, Z, and R 2 are as defined herein. Such compounds are useful as protein tyrosine kinase inhibitors, more particularly inhibitors of c-fms kinase.

  本发明涉及一种用于制备公式I的杂环衍生物的方法，其中J、X、Z和R2如本文所定义。这些化合物可用作蛋白酪氨酸激酶抑制剂，更具体地说是c-fms激酶的抑制剂。
• Anodic Cyanation of 1-Methylimidazoles
  作者：Kunihisa Yoshida、Hirohito Kitabayashi

  DOI：10.1246/bcsj.60.3693

  日期：1987.10

  The electrooxidation of several 1-methylimidazoles was performed in MeOH that contains NaCN at a platinum anode in a divided cell. Replacement of an aromatic hydrogen by a cyano group occurred. With 1,2,4,5-tetramethylimidazole, the 2,5-addition of cyano groups to the imidazole ring was achieved, and besides side-chain substitution occurred concurrently.

  几种 1-甲基咪唑的电氧化在含有 NaCN 的 MeOH 中进行，在分离式电池的铂阳极上进行。芳族氢被氰基取代。使用1,2,4,5-四甲基咪唑，实现了氰基向咪唑环的2,5-加成，并且同时发生侧链取代。
• Competing pathways in the phototransposition of pyrazoles
  作者：John A. Barltrop、A. Colin Day、Arthur G. Mack、Aziz Shahrisa、Shigeru Wakamatsu

  DOI：10.1039/c39810000604

  日期：——

  Cyano-substituted pyrazoles transpose photo-chemically into imidazoles by two concurrent paths: (a) 1,5-interchange, probably by 2,5-bonding to a diazabicyclopentene which isomerises by nitrogen ‘walk’ before rearomatisation, and (b) 2,3-interchange, probably via an intermediate azirine; in sharp contrast, 1,5-dimethyl-3-trifluoromethylpyrazole phototransposes exclusively by the former path.

  氰基取代的吡唑通过两种同时的途径以光化学方式转变为咪唑：（a）1,5-交换，可能通过2,5-结合至二氮杂双环戊烯，该二氮杂双环戊烯在重新芳构化之前通过氮的“游走”而异构化；和（b）2 3-互换，可能是通过中间的叠氮基进行的；与之形成鲜明对比的是，1,5-二甲基-3-三氟甲基吡唑仅通过前者的路径进行光转位。
• PROCESS FOR THE PREPARATION OF HETEROCYCLIC ESTER DERIVATIVES
  申请人：Janssen Pharmaceutica NV

  公开号：US20140046072A1

  公开（公告）日：2014-02-13

  The present invention is directed to a process for the preparation of heterocyclic ester derivatives of formula I wherein A 1 , SEM, and W 1 are as defined herein. Such compounds are useful as intermediates in the synthesis of derivatives useful as protein tyrosine kinase inhibitors, more particularly inhibitors of c-fms kinase.

  本发明涉及一种制备式I的杂环酯衍生物的方法，其中A1，SEM和W1如本文所定义。这些化合物可用作合成蛋白酪氨酸激酶抑制剂的衍生物的中间体，更具体地是c-fms激酶的抑制剂。
• Etude de l'isomerisation catalysee de nitro-5 en nitro-4 imidazoles
  作者：Patrice Vanelle、Olivier Jentzer、Mebarek Bahnous、Michel P. Crozet

  DOI：10.1016/s0040-4039(00)82868-3

  日期：——