2-氯-4,5-二羟基苯甲酸 | 87932-51-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-4,5-二羟基苯甲酸
• 英文名称: 2-chloro-4,5-dihydroxy-benzoic acid
• 英文别名: 2-Chlor-4,5-dihydroxy-benzoesaeure；3,4-dihydroxy-6-chlorobenzoic acid；2-Chloro-4,5-dihydroxybenzoic acid
• CAS: 87932-51-2
• 化学式: C₇H₅ClO₄
• 分子量: 188.567
• InChiKey: DFHXVNSKHYFZTB-UHFFFAOYSA-N

物化性质

• 沸点：
  418.3±45.0 °C(Predicted)
• 密度：
  1.702±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氯-4,5-二羟基苯甲酸 在 三溴化硼 、 potassium carbonate 、 sodium iodide 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 2-chloro-4,5-bis((4-methoxybenzyl)oxy)benzoic acid
  参考文献：
  名称：

  Cefiderocol (S-649266), A new siderophore cephalosporin exhibiting potent activities against Pseudomonas aeruginosa and other gram-negative pathogens including multi-drug resistant bacteria: Structure activity relationship

  摘要：

  The structure-activity relationship (SAR) for a novel series of catechol conjugated siderophore cephalosporins is described with their in vitro activities against multi-drug resistant Gram-negative pathogens including Pseudomonas aeruginosa, Acinetobacter baumannii, Stenotrophomonas maltophilia and Enterobacteriaceae. Cefiderocol (3) was one of the best molecules which displayed well-balanced and potent activities against multi-drug resistant Gram-negative pathogens including carbapenem resistant bacteria among the prepared compounds with the modified C-7 side chain and the modified C-3 side chain. Cefiderocol (3) is a highly promising parenteral cephalosporin for the treatment of multi-drug resistant Gram-negative infection. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.06.014
• 作为产物：
  描述：

  2-氯-4,5-二甲氧基苯甲酸 在 氢溴酸 、 溶剂黄146 作用下， 生成 2-氯-4,5-二羟基苯甲酸
  参考文献：
  名称：

  Tomita et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 1122,1125

  摘要：

  DOI：

文献信息

• Piperaziniocephalosporins
  申请人：Shionogi & Co., Ltd.

  公开号：US05143910A1

  公开（公告）日：1992-09-01

  Antibacterial hydroxyarylpiperazinocephalosporins of the formula: ##STR1## wherein R.sup.1 is amino or acylamino; R.sup.2 is H or methoxy; R.sup.3 is alkyl; R.sup.4 is --(P--C--Q).sub.n --, where P and Q each are H, alkyl or OH, or P and Q combine to form oxo, and n is 0 or 4; R.sup.5 is substituted or unsubstituted hydroxyaryl; R.sup.6 has a negative charge and is COO, or an anion in combination with an optionally protected carboxy; and X is O, S or S.fwdarw.O; an antibacterial preparation containing the same; a method for killing bacteria and preventing or treating bacterial infection by using the same; and syntheses of the cephalosporins are provided.

  公式为：##STR1##其中R.sup.1为氨基或酰氨基；R.sup.2为H或甲氧基；R.sup.3为烷基；R.sup.4为--(P--C--Q).sub.n --，其中P和Q分别为H、烷基或OH，或P和Q结合形成氧化物，n为0或4；R.sup.5为取代或未取代的羟基芳基；R.sup.6带有负电荷，为COO，或与可选择保护的羧基结合的阴离子；X为O、S或S.fwdarw.O；包含相同成分的抗菌制剂；通过使用相同的方法杀灭细菌并预防或治疗细菌感染；提供头孢菌素的合成方法。
• US5143910A
  申请人：——

  公开号：US5143910A

  公开（公告）日：1992-09-01
• Tomita et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 1122,1125
  作者：Tomita et al.

  DOI：——

  日期：——
• Cefiderocol (S-649266), A new siderophore cephalosporin exhibiting potent activities against Pseudomonas aeruginosa and other gram-negative pathogens including multi-drug resistant bacteria: Structure activity relationship
  作者：Toshiaki Aoki、Hidenori Yoshizawa、Kenji Yamawaki、Katsuki Yokoo、Jun Sato、Shinya Hisakawa、Yasushi Hasegawa、Hiroki Kusano、Masayuki Sano、Hideki Sugimoto、Yasuhiro Nishitani、Takafumi Sato、Masakatsu Tsuji、Rio Nakamura、Toru Nishikawa、Yoshinori Yamano

  DOI：10.1016/j.ejmech.2018.06.014

  日期：2018.7

  The structure-activity relationship (SAR) for a novel series of catechol conjugated siderophore cephalosporins is described with their in vitro activities against multi-drug resistant Gram-negative pathogens including Pseudomonas aeruginosa, Acinetobacter baumannii, Stenotrophomonas maltophilia and Enterobacteriaceae. Cefiderocol (3) was one of the best molecules which displayed well-balanced and potent activities against multi-drug resistant Gram-negative pathogens including carbapenem resistant bacteria among the prepared compounds with the modified C-7 side chain and the modified C-3 side chain. Cefiderocol (3) is a highly promising parenteral cephalosporin for the treatment of multi-drug resistant Gram-negative infection. (C) 2018 Elsevier Masson SAS. All rights reserved.