(9ci)-1-甲基-1H-咪唑-2-乙腈 | 3984-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (9ci)-1-甲基-1H-咪唑-2-乙腈
• 中文别名: (1-甲基-1H-咪唑-2-基)乙腈
• 英文名称: 2-Cyanmethyl-1-methyl-imidazol
• 英文别名: (1-methyl-1H-imidazol-2-yl)acetonitrile；1-methyl-2-cyanomethylimidazole；2-(1-methylimidazol-2-yl)acetonitrile
• CAS: 3984-53-0
• 化学式: C₆H₇N₃
• mdl: MFCD01646154
• 分子量: 121.142
• InChiKey: FCQJYRPVEODPHA-UHFFFAOYSA-N

物化性质

• 熔点：
  33-35℃

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  9
• 可旋转键数：
  1
• 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

• 作为反应物：
  描述：

  (9ci)-1-甲基-1H-咪唑-2-乙腈 在 一水合肼 作用下， 以67%的产率得到3,5-bis[(1-methylimidazol-2-yl)methyl]-1,2,4-triazol-4-amine
  参考文献：
  名称：

  A direct synthetic approach to novel quadrupolar [14] azolophanes

  摘要：

  A convergent '3+1' synthesis allowed a simple entrance to the first examples of [l(4)]metaazolophanes 1 and [l(4)](meta-ortho)(2)azolophanes 2 built up from heterocyclic betaine subunits, illustrating a prototype of phanes constructed by both highly pi-excessive and highly pi-deficient heteroaromatic moieties linked in a 1,3-alternating fashion. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4020(96)00925-8
• 作为产物：
  描述：

  1-甲基-2-羟甲基-1H-咪唑 在 氯化亚砜 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 (9ci)-1-甲基-1H-咪唑-2-乙腈
  参考文献：
  名称：

  A direct synthetic approach to novel quadrupolar [14] azolophanes

  摘要：

  A convergent '3+1' synthesis allowed a simple entrance to the first examples of [l(4)]metaazolophanes 1 and [l(4)](meta-ortho)(2)azolophanes 2 built up from heterocyclic betaine subunits, illustrating a prototype of phanes constructed by both highly pi-excessive and highly pi-deficient heteroaromatic moieties linked in a 1,3-alternating fashion. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4020(96)00925-8

文献信息

• Hydroxypropyl substituted nitrogen bridgehead fused cyanopyridines
  作者：Demyd S. Milokhov、Olga V. Khilya、Alexander V. Turov、Volodymyr V. Medviediev、Oleg V. Shishkin、Yulian M. Volovenko

  DOI：10.1016/j.tet.2013.12.074

  日期：2014.2

  promoted Michael addition of the substituted acetonitriles to 2-hetaryl-2-(tetrahydro-2-furanyliden)acetonitriles followed by ring transformations has provided novel convenient synthetic methods to nitrogen bridgehead fused cyanopyridines bearing hydroxypropyl side chain. The structures of obtained compounds have been established based on NMR spectroscopy investigation and X-ray diffraction data.

  研究了2-杂芳基-2-（四氢-2-呋喃二烯）乙腈与取代乙腈作为C-亲核试剂的反应，并提出了反应机理。碱促进的取代基乙氧基到2-杂芳基-2-（四氢-2-呋喃腈）乙腈的迈克尔加成反应，然后进行环转化，为带有羟基丙基侧链的氮桥头稠合氰基吡啶提供了新颖便捷的合成方法。基于NMR光谱学研究和X射线衍射数据，已经建立了获得的化合物的结构。
• Substituted thiazoles as immunoregulants
  申请人：Merck & Co., Inc.

  公开号：US04746669A1

  公开（公告）日：1988-05-24

  Thiazole derivatives have been made, for example, by reacting a 2-aryl-2,2-dialkoxyethylamine with an appropriately substituted aryl acetyl halide followed by treating the resulting amide with diphosphoryl pentasulfide. The thiazole derivatives are found to be effective immunoregulants.

  噻唑衍生物已被制备出来，例如通过将2-芳基-2,2-二烷氧基乙胺与适当取代的芳基乙酰卤反应，然后用二磷五硫化物处理得到的酰胺。发现这些噻唑衍生物对免疫调节具有有效作用。
• POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS
  申请人：Luo Steven

  公开号：US20090099325A1

  公开（公告）日：2009-04-16

  A method for preparing a functionalized polymer, the method comprising the steps of preparing a reactive polymer and reacting the reactive polymer with a heterocyclic nitrile compound.

  一种制备功能化聚合物的方法，包括以下步骤：制备一种反应性聚合物，并将该反应性聚合物与杂环腈化合物反应。
• 2-AMINO-3-(IMIDAZOL-2-YL)-PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS VEGF RECEPTOR KINASE INHIBITORS
  申请人：SANOFI

  公开号：US20150328205A1

  公开（公告）日：2015-11-19

  The invention relates to the compounds of general formula (I): Preparation process and therapeutic use.

  本发明涉及一般式（I）的化合物：制备过程和治疗用途。
• Process for producing functionalized polymers
  申请人：BRIDGESTONE CORPORATION

  公开号：US10370460B1

  公开（公告）日：2019-08-06

  A method for producing a functionalized polymer, the method comprising the steps of: (i) preparing a bulk polymerization system including a reactive polymer by introducing a lanthanide-based catalyst and a conjugated diene monomer; (ii) adding a heterocyclic nitrile compound the polymerization system including the reactive polymer to prepare polymerization system including a functionalized polymer; and (iii) adding a protic compound to the polymerization system including a functionalized polymer where the ratio of water or protic hydrogen atoms in the protic compound to the lanthanide atoms in the lanthanide-based catalyst is at least 1500 to 1.

  一种生产官能化聚合物的方法，该方法包括以下步骤(i) 通过引入镧系催化剂和共轭二烯单体，制备包括反应性聚合物的大块聚合体系； (ii) 向包括反应性聚合物的聚合体系中加入杂环腈化合物，制备包括官能化聚合物的聚合体系； 以及 (iii) 向包括官能化聚合物的聚合体系中加入原生化合物，其中原生化合物中的水或原生氢原子与镧系催化剂中的镧系原子之比至少为 1500 比 1。