4-羟基-3,4',5-三氯联苯 | 4400-06-0

• 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: 4-羟基-3,4',5-三氯联苯
• 英文名称: 3,4',5-trichloro-4-hydroxybiphenyl
• 英文别名: 3,4',5-Trichloro-4-biphenylol；4-hydroxy-3,4',5-trichlorobiphenyl；4-HO-3,4',5-TCB；3,5,4'-trichloro-biphenyl-4-ol；2.6-Dichlor-4-(4-chlor-phenyl)-phenol；3.5.4'-Trichlor-4-hydroxy-biphenyl；2,6-dichloro-4-(4-chlorophenyl)phenol
• CAS: 4400-06-0
• 化学式: C₁₂H₇Cl₃O
• 分子量: 273.546
• InChiKey: OICMUGIRBDYVOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-羟基-3,4',5-三氯联苯 、 乙酸酐 在 sodium acetate 作用下， 生成 acetic acid-(3,5,4'-trichloro-biphenyl-4-yl ester)
  参考文献：
  名称：

  The Halogenation of Certain Esters in the Biphenyl Series. I. The Chlorination of 4-Phenylphenyl Acetate¹

  摘要：

  DOI：

  10.1021/ja01261a052
• 作为产物：
  描述：

  2,6-二氯苯酚 在 四(三苯基膦)钯 sodium hydroxide 、 氢溴酸 、 三溴化硼 、 sodium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 溶剂黄146 、 甲苯 为溶剂， 反应 36.5h， 生成 4-羟基-3,4',5-三氯联苯
  参考文献：
  名称：

  Synthesis of hydroxylated PCB metabolites with the Suzuki-coupling

  摘要：

  An improved synthesis of hydroxylated polychlorinated biphenyls (PCBs) which are structurally related to the major hydroxy PCB, congeners identified in human plasma is described. The coupling of (chlorinated) aryl boronic acids with bromochloro anisoles using the standard conditions of the Suzuki coupling gave the desired hydroxylated PCB metabolites in good to excellent yields. The approach offers the advantage of high selectivity and good yields compared to conventional methods such as the Cadogan reaction and allows the use of less toxic starting materials. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(01)00052-2

文献信息

• BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR
  申请人：Chu Chang An

  公开号：US20080255198A1

  公开（公告）日：2008-10-16

  The present invention relates to compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , m, n, p and s are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases that are associated with the activation of the glycogen synthase enzyme, such as diabetes.

  本发明涉及公式（I）的化合物，其中R1，R2，R3，R4，m，n，p和s如描述和权利要求中所定义，并且其药学上可接受的盐。该化合物用于治疗和/或预防与糖原合成酶酶的激活相关的疾病，如糖尿病。
• Chlorine Derivatives of 4-Hydroxydiphenyl
  作者：J. C. Colbert、Wyman Meigs、Brown Mackin

  DOI：10.1021/ja01316a063

  日期：1934.1
• The Metalation of Thianthrene and Dibenzo-p-dioxin¹
  作者：Henry Gilman、C. G. Stuckwisch

  DOI：10.1021/ja01248a006

  日期：1943.8
• Derivatives of the Hydroxydiphenyls. II. Nitrogen and Halogen Derivatives of 4-Hydroxydiphenyl¹
  作者：J. C. Colbert、Wyman Meigs、Arnold H. Stuerke

  DOI：10.1021/ja01325a041

  日期：1934.10
• The Halogenation of Certain Esters in the Biphenyl Series. II. The Chlorination of 4-Phenylphenyl Benzoate and 4-Phenylphenyl Benzenesulfonate¹
  作者：Cora May Segura Savoy、John Leo Abernethy

  DOI：10.1021/ja01263a057

  日期：1942.11