4-(2-chlorobenzoyl)benzoic acid | 5953-11-7

• 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-(2-chlorobenzoyl)benzoic acid
• 英文别名: 4-<2-Chlor-benzoyl>-benzoesaeure；4-(2-Chlor-benzoyl)-benzoesaeure
• CAS: 5953-11-7
• 化学式: C₁₄H₉ClO₃
• 分子量: 260.677
• InChiKey: ISBDRIBAZBYZCK-UHFFFAOYSA-N

物化性质

• 熔点：
  207-209 °C
• 沸点：
  447.7±25.0 °C(Predicted)
• 密度：
  1.357±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 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：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-chlorobenzoyl)benzoic acid 在 吡啶 、 氯化亚砜 作用下， 反应 2.0h， 生成 1-(4-(2-chlorobenzoyl)benzoyl)-3-thiosemicarbazide
  参考文献：
  名称：

  3-Mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors

  摘要：

  The production of beta-lactamases is an effective strategy by which pathogenic bacteria can develop resistance against beta-lactam antibiotics. While inhibitors of serine-beta-lactamases are widely used in combination therapy with b-lactam antibiotics, there are no clinically available inhibitors of metallo-beta-lactamases (MBLs), and so there is a need for the development of such inhibitors. This work describes the optimisation of a lead inhibitor previously identified by fragment screening of a compound library. We also report that thiosemicarbazide intermediates in the syntheses of these compounds are also moderately potent inhibitors of the IMP-1 MBL from Pseudomonas aeruginosa. The interactions of these inhibitors with the active site of IMP-1 were examined using in silico methods. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.116
• 作为产物：
  描述：

  (2-氯苯基)-(4-甲基苯基)甲酮 在 chromium(VI) oxide 作用下， 以 溶剂黄146 为溶剂， 生成 4-(2-chlorobenzoyl)benzoic acid
  参考文献：
  名称：

  Pagliarini; Cignarella; Testa, Farmaco, Edizione Scientifica, 1965, vol. 20, # 10, p. 686 - 695

  摘要：

  DOI：

文献信息

• Novel aromatic compounds
  申请人：——

  公开号：US20030186944A1

  公开（公告）日：2003-10-02

  Disclosed are compounds of formula I 1 wherein A, R1, R2, R3, R4 and R5 are described in the specification, pharmaceutical formulations comprising these compounds, the use of these compounds as medicaments, the use of these medicaments in the treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (NIDDM or Type 2 diabetes), as well as methods for treating diabetes comprising administration of these compounds.

  本发明揭示了式I1化合物，其中A、R1、R2、R3、R4和R5如规范中所述，以及包含这些化合物的药物制剂，这些化合物作为药物的用途，这些药物用于治疗和/或预防糖尿病，特别是非胰岛素依赖性糖尿病（NIDDM或2型糖尿病），以及包括这些化合物的给药方法来治疗糖尿病。
• THERMOCHROMIC COLOR-MEMORY COMPOSITION AND THERMOCHROMIC COLOR-MEMORY MICROCAPSULE PIGMENT INCLUDING SAME
  申请人：THE PILOT INK CO., LTD.

  公开号：EP3192845A1

  公开（公告）日：2017-07-19

  [Problem] An object of the present invention is to provide: thermochromic color-memorizing composition which effectively expresses a property of being capable of interchangeably memorizing and retaining colors and is thus applicable to various fields; and thermochromic color-memorizing microcapsule pigment encapsulating the same. [Means for Solution] Provided are thermochromic color-memorizing composition and thermochromic color-memorizing microcapsule pigment encapsulating the same, the thermochromic color-memorizing composition including: (a) an electron-donating color-developing organic compound; (b) an electron-accepting compound; and (c) an ester compound represented by the following formula (1) as a reaction medium which controls color reaction between the components (a) and (b): (wherein, R represents an alkyl group having 4 to 22 carbon atoms, an alkenyl group having 4 to 22 carbon atoms, a cycloalkylalkyl group having 6 to 11 carbon atoms or a cycloalkyl group having 5 to 7 carbon atoms; X represents a hydrogen atom, an alkyl group, an alkoxy group or a halogen atom; Y represents a hydrogen atom, an alkyl group, an alkoxy group or a halogen atom; and n represents 0 or 1).

  [问题]本发明的目的是提供：热致变色颜色记忆组合物，该组合物有效地表达了能够互换记忆和保留颜色的特性，因此适用于各种领域；以及封装该组合物的热致变色颜色记忆微胶囊颜料。 [解决方法]本发明提供了热致变色颜色记忆组合物和封装该组合物的热致变色颜色记忆微胶囊颜料，热致变色颜色记忆组合物包括：(a) 电子捐赠显色有机化合物；(b) 电子接受化合物；以及 (c) 由下式 (1) 表示的酯类化合物，作为反应介质，控制成分 (a) 和 (b) 之间的颜色反应： (其中，R 代表具有 4 至 22 个碳原子的烷基、具有 4 至 22 个碳原子的烯基、具有 6 至 11 个碳原子的环烷基或具有 5 至 7 个碳原子的环烷基；X 代表氢原子、烷基、烷氧基或卤素原子；Y 代表氢原子、烷基、烷氧基或卤素原子；n 代表 0 或 1）。
• Penicillin inhibitors of purple acid phosphatase
  作者：Faridoon、Waleed M. Hussein、Nazar Ul Islam、Luke W. Guddat、Gerhard Schenk、Ross P. McGeary

  DOI：10.1016/j.bmcl.2012.01.123

  日期：2012.4

  Purple acid phosphatases (PAPs) are binuclear metallohydrolases that have a multitude of biological functions and are found in fungi, bacteria, plants and animals. In mammals, PAP activity is linked with bone resorption and over-expression can lead to bone disorders such as osteoporosis. PAP is therefore an attractive target for the development of drugs to treat this disease. A series of penicillin conjugates, in which 6-aminopenicillanic acid was acylated with aromatic acid chlorides, has been prepared and assayed against pig PAP. The binding mode of most of these conjugates is purely competitive, and some members of this class have potencies comparable to the best PAP inhibitors yet reported. The structurally related penicillin G was shown to be neither an inhibitor nor a substrate for pig PAP. Molecular modelling has been used to examine the binding modes of these compounds in the active site of the enzyme and to rationalise their activities. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.
• Pagliarini; Cignarella; Testa, Farmaco, Edizione Scientifica, 1965, vol. 20, # 10, p. 686 - 695
  作者：Pagliarini、Cignarella、Testa

  DOI：——

  日期：——
• NOVEL AROMATIC COMPOUNDS
  申请人：NOVO NORDISK A/S

  公开号：EP1220832A1

  公开（公告）日：2002-07-10