2-(3-trifluoromethylphenylamino)acetonitrile | 24889-96-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-trifluoromethylphenylamino)acetonitrile
• 英文别名: (3-trifluoromethyl-phenylamino)-acetonitrile；m-trifluoromethylanilinoacetonitrile；m-Trifluormethylanilinoacetonitril；Acetonitrile, 2-[[3-(trifluoromethyl)phenyl]amino]-；2-[3-(trifluoromethyl)anilino]acetonitrile
• CAS: 24889-96-1
• 化学式: C₉H₇F₃N₂
• 分子量: 200.163
• InChiKey: KOYLOSKLPZPOGY-UHFFFAOYSA-N

物化性质

• 沸点：
  109-116 °C(Press: 0.1 Torr)
• 密度：
  1.314±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-trifluoromethylphenylamino)acetonitrile 在 selenium 、 sodium tetrahydroborate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 1-[3-(trifluoromethyl)phenyl]-4-[[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]diselanyl]imidazole
  参考文献：
  名称：

  Design, synthesis and glutathione peroxidase-Like properties of ovothiol-Derived diselenides

  摘要：

  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.

  DOI：

  10.1016/s0968-0896(03)00504-2
• 作为产物：
  描述：

  4-氰基吡啶 、 N-(3-trifluoromethyl-phenyl)-glycine 在 tetrabutylammonium tetrafluoroborate 、 potassium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 8.0h， 以70%的产率得到2-(3-trifluoromethylphenylamino)acetonitrile
  参考文献：
  名称：

  用于脱羧氰化的配对电解：4-CN-吡啶，一种多功能腈源

  摘要：

  已经开发了在配对电化学反应条件下氨基酸的脱羧氰化。4-CN-吡啶在无催化剂条件下被发现是一种新型有效的氰化试剂。机理研究支持亲核反应途径，氰化方案可应用于多种底物，包括N、N-二烷基苯胺和吲哚衍生物。

  DOI：

  10.1021/acs.orglett.2c01897

文献信息

• NOVEL HETEROCYCLYL COMPOUNDS
  申请人：Adam Jean-Michel

  公开号：US20100022518A1

  公开（公告）日：2010-01-28

  The invention is concerned with novel heterocyclyl compounds of formula (I): wherein A, X, R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , m, n and p are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and may be used as medicaments.

  这项发明涉及式(I)的新异环烷基化合物：其中A、X、R3、R4、R5、R6、R7、R8、R9、R10、m、n和p如描述和索赔中所定义，并且其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，可用作药物。
• Method of inhibiting sickling of sickle erythrocytes
  申请人：The Dow Chemical Company

  公开号：US04343808A1

  公开（公告）日：1982-08-10

  Method for inhibiting the sickling of sickle erythrocytes in blood by contacting the sickle erythrocytes with a compound of the formula: ##STR1## or a pharmaceutically-acceptable salt thereof wherein X represents sulfur, oxygen or imino; and R.sub.m and R.sub.p each independently represent hydrogen, cyano, nitro, alkylthio, alkylsulfinyl, alkylsulfonyl, alkyl or trifluoromethyl.

  通过将镰刀红细胞与以下公式的化合物接触，抑制血液中的镰刀红细胞变形：##STR1## 或其药学上可接受的盐，其中X代表硫、氧或亚硝基；R.sub.m 和 R.sub.p 各自独立地代表氢、氰基、硝基、烷基硫、烷基亚硫酰基、烷基磺酰基、烷基或三氟甲基。
• 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：——
• DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2321285A1

  公开（公告）日：2011-05-18