4'-cyano-2',3'-difluoroacetanilide | 112279-73-9

• 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: 4'-cyano-2',3'-difluoroacetanilide
• 英文别名: N-(4-cyano-2,3-difluorophenyl)acetamide
• CAS: 112279-73-9
• 化学式: C₉H₆F₂N₂O
• 分子量: 196.156
• InChiKey: HTHAXKNWRMAYKQ-UHFFFAOYSA-N

物化性质

• 熔点：
  175-177 °C
• 沸点：
  352.5±42.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4'-cyano-2',3'-difluoroacetanilide 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 2,3-二氟-4-氰基苯胺
  参考文献：
  名称：

  Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators

  摘要：

  Pharmacokinctic studies in cynomolgus monkeys with a novel prototype selective androgen receptor modulator revealed trace amounts of an aniline fragment released through hydrolytic metabolism. This aniline fragment was determined to be mutagenic in an Ames assay. subsequent concurrent optimization for target activity and avoidance of mutagenicity led to the identification of a pharmacologically superior clinical candidate without mutagenic potential. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.076
• 作为产物：
  描述：

  2,3-二氟-4-氰基苯胺 在 Ac₂O 作用下， 以 乙醚 为溶剂， 以67%的产率得到4'-cyano-2',3'-difluoroacetanilide
  参考文献：
  名称：

  Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals

  摘要：

  公开号：

  EP0224001B1

文献信息

• Anthranilonitrile derivatives as useful agents for promoting growth,
  申请人：American Cyanamid Company

  公开号：US04863959A1

  公开（公告）日：1989-09-05

  There are provided novel anthranilonitrile derivatives and related compounds which are useful for promoting growth, improving feed efficiency and for increasing the lean meat to fat ratio of warm-blooded animals.

  提供了新型蒽酰氰衍生物和相关化合物，可用于促进动物生长，提高饲料效率和增加温血动物的瘦肉与脂肪比。
• BENTLEY, TERENCE J.;ASATO, GORO
  作者：BENTLEY, TERENCE J.、ASATO, GORO

  DOI：——

  日期：——
• US4863959A
  申请人：——

  公开号：US4863959A

  公开（公告）日：1989-09-05
• Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators
  作者：Lawrence G. Hamann、Mark C. Manfredi、Chongqing Sun、Stanley R. Krystek、Yanting Huang、Yingzhi Bi、David J. Augeri、Tammy Wang、Yan Zou、David. A. Betebenner、Aberra Fura、Ramakrishna Seethala、Rajasree Golla、Joyce E. Kuhns、John A. Lupisella、Celia J. Darienzo、Laura L. Custer、Jennifer L. Price、James M. Johnson、Scott A. Biller、Robert Zahler、Jacek Ostrowski

  DOI：10.1016/j.bmcl.2007.01.076

  日期：2007.4

  Pharmacokinctic studies in cynomolgus monkeys with a novel prototype selective androgen receptor modulator revealed trace amounts of an aniline fragment released through hydrolytic metabolism. This aniline fragment was determined to be mutagenic in an Ames assay. subsequent concurrent optimization for target activity and avoidance of mutagenicity led to the identification of a pharmacologically superior clinical candidate without mutagenic potential. (c) 2007 Elsevier Ltd. All rights reserved.
• Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0224001B1

  公开（公告）日：1991-03-20