[(3-氯苯基)氨基]乙腈 | 24889-93-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: [(3-氯苯基)氨基]乙腈
• 英文名称: 2-(3-chlorophenylamino)acetonitrile
• 英文别名: m-Chloranilinoacetonitril；N-(3-chloro-phenyl)-glycine nitrile；N-(3-Chlor-phenyl)-glycin-nitril；α-(3-chlorophenyl)-aminoacetonitrile；2-[(3-Chlorophenyl)amino]acetonitrile；2-(3-chloroanilino)acetonitrile
• CAS: 24889-93-8
• 化学式: C₈H₇ClN₂
• mdl: MFCD11152884
• 分子量: 166.61
• InChiKey: GERRKLUTCVHRFL-UHFFFAOYSA-N

物化性质

• 沸点：
  148-152 °C(Press: 0.25-0.75 Torr)
• 密度：
  1.274±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [(3-氯苯基)氨基]乙腈 在 亚硝酸异戊酯 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 <(3-Chlor-phenyl)-nitroso-amino>-acetonitril
  参考文献：
  名称：

  An Efficient, One-Pot Synthesis of 3-Alkyl or Aryl Sydnoneimines

  摘要：

  In a ''one-pot'' process, a variety of 3-alkyl and 3-aryl sydnoneimine hydrochlorides can be prepared in high yield, under mild conditions, by nitrosation of the corresponding aminoacetonitrile with isoamyl nitrite in diethyl ether followed by cyclization with HCl gas.

  DOI：

  10.1080/00397919208019267
• 作为产物：
  描述：

  聚合甲醛 、 氰化钾 、 3-氯苯胺 生成 [(3-氯苯基)氨基]乙腈
  参考文献：
  名称：

  关于氨基乙腈。解离规则，第二部分

  摘要：

  （a）描述了芳基氨基-乙腈和二芳基-氨基乙腈的改良合成。在某些情况下，我们观察到的不是预期的腈，而是结晶的N，N'-亚甲基-双-芳基胺。它们是副产物，但是腈形成的中间体。

  DOI：

  10.1002/hlca.19540370120

文献信息

• Condensed heterocyclic compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05498774A1

  公开（公告）日：1996-03-12

  A condensed heterocyclic compound of the general formula: ##STR1## wherein Q is a condensed heterocyclic group having a nitrogen atom in the bridgehead which is unsubstituted or substituted, X is a hydrogen atom or a group attached through C, O, S or N, and Y is an electron attractive group, or its salt which is useful as agricultural chemical.

  一种具有通用式的缩合杂环化合物：##STR1## 其中Q是具有未取代或取代的桥头氮原子的缩合杂环基团，X是通过C、O、S或N连接的氢原子或基团，Y是电子亲和基团，或其盐，可用作农药。
• Bromodomain Inhibitors
  申请人：ABBVIE INC.

  公开号：US20160272630A1

  公开（公告）日：2016-09-22

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are provided. The compounds are useful as agents in the treatment of diseases and conditions, including inflammatory diseases, cancer, and AIDS. Pharmaceutical compositions comprised of one or more compounds of formula (I) are also provided.

  提供化学式（I）的化合物及其药学上可接受的盐。这些化合物可用作治疗炎症性疾病、癌症和艾滋病等疾病和症状的药物。还提供由一个或多个化学式（I）的化合物组成的药物组合物。
• FR2335497
  申请人：——

  公开号：——

  公开（公告）日：——
• Design, synthesis and glutathione peroxidase-Like properties of ovothiol-Derived diselenides
  作者：Fabrice Bailly、Nathalie Azaroual、Jean-Luc Bernier

  DOI：10.1016/s0968-0896(03)00504-2

  日期：2003.10

  Eleven imidazole diselenides derived from the naturally occurring family of antioxidants, the ovothiols, were synthetised by cyclisation of selenoamides with trimethylsilyltrifluoromethanesulfonate or refluxing of cyanoamines in a selenium/sodium borohydride mixture. These compounds were assayed for their glutathione peroxidase-like (GSH Px-like) activity and their capacity to be reduced by glutathione. The most active molecules of the series were 4 times more potent in the GSH Px-like test than the widely known reference compound, ebselen. This catalytic activity was mediated by the formation of the antioxidant selenol intermediate upon partial but significant exchange reaction with glutathione. (C) 2003 Elsevier Ltd. All rights reserved.
• BROMODOMAIN INHIBITORS
  申请人：AbbVie Inc.

  公开号：EP3013827A1

  公开（公告）日：2016-05-04