2-氰基3-(2,6-二氯苯基)丙烯酸 | 103447-22-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 2-氰基3-(2,6-二氯苯基)丙烯酸
• 英文名称: 2-cyano 3-(2,6-dichlorophenyl)propenoic acid
• 英文别名: 2-Cyano-3-(2,6-dichlorophenyl)acrylic acid；2-cyano-3-(2,6-dichlorophenyl)prop-2-enoic acid
• CAS: 103447-22-9
• 化学式: C₁₀H₅Cl₂NO₂
• mdl: MFCD09802338
• 分子量: 242.061
• InChiKey: YKZIPMODONNFTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氰基3-(2,6-二氯苯基)丙烯酸 在 sodium tetrahydroborate 、 氨 、 水 、 碳酸氢钠 、 sodium amide 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 、 2,4-滴二甲胺盐 为溶剂， 反应 8.0h， 生成 2-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
  参考文献：
  名称：

  Synthesis of hexahydro[2]benzopyrano[4,3-c]pyridines as serotonin 5-HT2C receptor agonists via intramolecular hetero Diels–Alder reactions

  摘要：

  Hexahydro[2]benzopyrano[4,3-c]pyridines were synthesized by an intramolecular hetero Diels-Alder reaction. The reaction was applicable to a range of substrates and the products could be easily converted into serotonin 5-HT2C receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.054
• 作为产物：
  描述：

  2,6-二氯苯甲醛 、 氰乙酸 在 吡啶 、 ammonium acetate 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以98%的产率得到2-氰基3-(2,6-二氯苯基)丙烯酸
  参考文献：
  名称：

  Synthesis of hexahydro[2]benzopyrano[4,3-c]pyridines as serotonin 5-HT2C receptor agonists via intramolecular hetero Diels–Alder reactions

  摘要：

  Hexahydro[2]benzopyrano[4,3-c]pyridines were synthesized by an intramolecular hetero Diels-Alder reaction. The reaction was applicable to a range of substrates and the products could be easily converted into serotonin 5-HT2C receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.054

文献信息

• Bicyclo (4.2.0) 1,3,5-octatriene compounds and use as .alpha.-adrenergics
  申请人：ADIR, s.a.r.l.

  公开号：US04567181A1

  公开（公告）日：1986-01-28

  Compounds of the formula: ##STR1## in which: R.sub.1 and R.sub.2 each represent, independently of one another, hydrogen, halogen, alkyl or alkoxy having from 1 to 4 carbon atoms, sulphonamide possibly substituted by an alkyl radical having from 1 to 4 carbon atoms; or together methylenedioxy, n is 0 or 1, in racemic form or in the form of optical isomers, and also their salts of addition with pharmaceutically acceptable acids. Useful in the treatment of ailments and/or conditions which are adrenoreceptor-related, such relationship being well known in the art.

  公式为：##STR1## 其中：R.sub.1和R.sub.2各自独立地代表氢、卤素、烷基或具有1至4个碳原子的烷氧基，磺酰胺可能被1至4个碳原子的烷基基团取代；或者一起成为亚甲二氧基，n为0或1，为外消旋或光学异构体形式，以及它们与药学上可接受的酸的加成盐。在治疗与肾上腺素受体相关的疾病和/或病症方面有用，这种关系在艺术中是众所周知的。
• TRICYCLIC HETEROCYCLIC DERIVATIVES
  申请人：Davies Keneth

  公开号：US20120232122A1

  公开（公告）日：2012-09-13

  The present invention relates to a tricyclic heterocyclic derivative according to Formula (I), wherein the variables are defined as in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to pharmaceutical compositions comprising said tricyclic heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of serotonin mediated disorders, such as obesity.

  本发明涉及一种三环杂环衍生物，其符合公式（I）中定义的变量，或其药学上可接受的盐或溶剂。本发明还涉及包含所述三环杂环衍生物的制药组合物，以及它们在治疗中的用途，例如在治疗或预防血清素介导的疾病，如肥胖症方面的应用。
• Tricyclic heterocyclic derivatives
  申请人：Davies Keneth

  公开号：US08729274B2

  公开（公告）日：2014-05-20

  The present invention relates to a tricyclic heterocyclic derivative according to Formula (I), wherein the variables are defined as in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to pharmaceutical compositions comprising said tricyclic heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of serotonin mediated disorders, such as obesity.

  本发明涉及一种三环杂环衍生物，其符合公式（I）中定义的变量，或其药学上可接受的盐或溶剂。本发明还涉及包含所述三环杂环衍生物的制药组合物，并且它们在治疗中的应用，例如用于治疗或预防由血清素介导的疾病，如肥胖症。
• Synthesis of hexahydro[2]benzopyrano[3,4-c]pyrroles as serotonin 5-HT2C receptor agonists via intramolecular hetero Diels–Alder reactions
  作者：Takao Kiyoi、Mark Reid、Stuart Francis、Keneth Davies、Steven Laats、Duncan McArthur、Anna-Marie Easson、Yasuko Kiyoi、Gary Tarver、Wilson Caulfield、Kirsty Gibson、Grant Wishart、Angus J. Morrison、Julia M. Adam、Peter Ray

  DOI：10.1016/j.tetlet.2011.03.055

  日期：2011.7

  [2]Benzopyrano[3,4-c]pyrroles were synthesized via an intramolecular hetero Diels-Alder reaction. The reaction was applicable to a wide range of substrates and the products could be easily converted into serotonin 5-HT2c receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.
• Synthesis of hexahydro[2]benzopyrano[4,3-c]pyridines as serotonin 5-HT2C receptor agonists via intramolecular hetero Diels–Alder reactions
  作者：Yasuko Kiyoi、Steven Laats、Takao Kiyoi、Grant Wishart、Angus Brown、Peter Ray

  DOI：10.1016/j.tetlet.2011.03.054

  日期：2011.7

  Hexahydro[2]benzopyrano[4,3-c]pyridines were synthesized by an intramolecular hetero Diels-Alder reaction. The reaction was applicable to a range of substrates and the products could be easily converted into serotonin 5-HT2C receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.