2-(5-chlorothiophene-2-carbonyl)benzoic acid | 136309-62-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(5-chlorothiophene-2-carbonyl)benzoic acid
• 英文别名: 2-(5-chloro-thiophene-2-carbonyl)-benzoic acid；2-(5-Chlor-thiophen-2-carbonyl)-benzoesaeure；2-((5-(Chloromethyl)thiophen-2-yl)oxy)benzoic acid
• CAS: 136309-62-1
• 化学式: C₁₂H₇ClO₃S
• mdl: MFCD02261232
• 分子量: 266.705
• InChiKey: BUFQJXBCSGPKCW-UHFFFAOYSA-N

物化性质

• 熔点：
  101 °C
• 沸点：
  488.1±40.0 °C(Predicted)
• 密度：
  1.469±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(5-chlorothiophene-2-carbonyl)benzoic acid 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以68%的产率得到4-(5-chlorothiophen-2-yl)phthalazin-1(2H)-one
  参考文献：
  名称：

  4-Heteroaryl Phthalazin-1(2H)-one Derivatives as Potent Melanin Concentrating Hormone Receptor 1 (MCH-R1) Antagonists

  摘要：

  DOI：

  10.5012/bkcs.2012.33.7.2389
• 作为产物：
  描述：

  5-氯噻吩-2-甲酸甲酯 、 2-溴苯甲酸 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以23%的产率得到2-(5-chlorothiophene-2-carbonyl)benzoic acid
  参考文献：
  名称：

  4-Heteroaryl Phthalazin-1(2H)-one Derivatives as Potent Melanin Concentrating Hormone Receptor 1 (MCH-R1) Antagonists

  摘要：

  DOI：

  10.5012/bkcs.2012.33.7.2389

文献信息

• o-(2-Thenoyl)-benzoic Acids and Thiophanthraquinones
  作者：Viktor Weinmayr

  DOI：10.1021/ja01137a031

  日期：1952.9
• Buu-Hoi et al., Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 1083,1103
  作者：Buu-Hoi et al.

  DOI：——

  日期：——
• Novel antiasthmatic agents with dual activities of thromboxane A2 synthetase inhibition and bronchodilation. 1. 2-[2-(1-Imidazolyl)alkyl]-1(2H)-phthalazinones
  作者：Masahisa Yamaguchi、Kenshi Kamei、Takaki Koga、Michitaka Akima、Toshio Kuroki、Nobuhiro Ohi

  DOI：10.1021/jm00077a008

  日期：1993.12

  A number of 4-substituted 2-[omega-(1-imidazolyl)allryl]-1(2H)-phthalazinones were synthesized in order to develop agents possessing both thromboxane Az synthetase inhibitory and bronchodilatory activities. The pharmacological evaluation of these compounds disclosed that they have both activities to various extents. Both activities were slightly dependent on the length of the 2-substituents and largely affected by the nature of the 4-substituents. Compounds bearing phenyl and thienyl groups exhibited relatively high and well-rounded activities. Among these compounds, 12j and 15f were found to be the most effective agents having well-rounded activities in vitro and in vivo. Introduction of a carboxyl group reduced both activities contrary to our expectation. 4-(3-Pyridyl)phthalazinone 18b was of particular interest because of unexpectedly high in vivo activities in spite of an absence of significant in vitro activities.
• PREPARATION OF THIOPHANTHRENEQUINONE AND ITS DERIVATIVES.¹ I
  作者：RENATO GONCALVES、ELLIS V. BROWN

  DOI：10.1021/jo01139a007

  日期：1952.5
• US5030647A
  申请人：——

  公开号：US5030647A

  公开（公告）日：1991-07-09