3,5-dichloro-4-hydroxybenzoyl chloride | 59595-92-5

• 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: 3,5-dichloro-4-hydroxybenzoyl chloride
• CAS: 59595-92-5
• 化学式: C₇H₃Cl₃O₂
• 分子量: 225.459
• InChiKey: IENFFBUGGRQFQL-UHFFFAOYSA-N

物化性质

• 熔点：
  92 °C
• 沸点：
  284.6±40.0 °C(Predicted)
• 密度：
  1.631±0.06 g/cm3(Predicted)
• pKa：
  4.41±0.23 (Predicted,Most Acidic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-dichloro-4-hydroxybenzoyl chloride 在 silver benzoate 、 三乙胺 作用下， 以 乙醚 为溶剂， 生成 (3,5-二氯-4-羟基苯基)乙酸甲酯
  参考文献：
  名称：

  Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta

  摘要：

  A set of thyromimetics having improved selectivity for TR-beta1 were prepared by replacing the 3'-isopropyl group of 2 and 3 with substituents having increased steric bulk. From this limited SAR study, the most potent and selective compounds identified were derived from 2 and contained a 3'-phenyl moiety bearing small hydrophobic groups meta to the biphenyl link. X-ray crystal data of 15c complexed with TR-beta1 LBD shows methionine 442 to be displaced by the bulky R3' phenyl ethyl amide side chain. Movement of this amino acid side chain provides an expanded pocket for the bulky side chain while the ligand-receptor complex retains full agonist activity.

  DOI：

  10.1016/j.bmcl.2004.04.032
• 作为产物：
  描述：

  3,5-二氯-4-羟基苯甲酸 在 草酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.58h， 生成 3,5-dichloro-4-hydroxybenzoyl chloride
  参考文献：
  名称：

  人尿酸盐转运蛋白1抑制剂，精氨酸加压素拮抗剂和17β-羟基类固醇脱氢酶3型抑制剂的合成，使用环酮肟与DIBALH的环扩展

  摘要：

  描述了三种临床候选药物的合成：人尿酸盐转运蛋白-1抑制剂，精氨酸加压素拮抗剂和17β-羟基类固醇脱氢酶3型抑制剂。使用相应的双环或三环肟的还原环扩环反应，分别通过构建3,4-二氢-2H-苯并[b] [1,4]恶嗪，二苯并二氮杂卓和二苯甲唑嗪骨架来合成这些化合物。二异丁基氢化铝。

  DOI：

  10.1248/cpb.c13-00961

文献信息

• Nitrogen-containing fused ring compounds and use thereof
  申请人：Hirata Kazuyuki

  公开号：US20070010670A1

  公开（公告）日：2007-01-11

  A URAT1 activity inhibitor containing a nitrogen-containing fused ring compound represented by the following formula [1]: wherein each symbol is as defined in the description. The present invention is useful for the prophylaxis or treatment of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like.

  一种包含氮含有融合环化合物的URAT1活性抑制剂，其化学式如下所示[1]： 其中每个符号如描述中所定义。本发明对于预防或治疗显示尿酸参与的病理学，如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等方面具有用处。
• Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds
  申请人：Miki Kazuki

  公开号：US20080305169A1

  公开（公告）日：2008-12-11

  [Problems] The present invention provides pharmaceutical composition which is effective for the prophylaxis or treatment of pathology showing involvement of uric acid (hyperuricemia, gouty tophus, acute gout arthritis, chronic gout arthritis, gouty kidney, urolithiasis, renal function disorder, coronary arterial disease, ischemic heart disease and the like) and the like, and is superior in the time-course stability and dissolution property (disintegration property). [Solving Means] The pharmaceutical composition of the present invention is a pharmaceutical composition comprising a nitrogen-containing fused ring compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof, and one or more pharmaceutically acceptable additives, wherein the nitrogen-containing fused ring compound or a pharmaceutically acceptable salt thereof is not in contact with a basic additive: wherein each symbol is as described in the specification.

  本发明提供了一种药物组合物，用于预防或治疗涉及尿酸的病理（高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等），并且在时间稳定性和溶解性（分解性）方面具有优越性。 【解决手段】本发明的药物组合物是一种药物组合物，包括下式【1】所表示的含氮融合环化合物或其药学上可接受的盐，以及一种或多种药学上可接受的添加剂，其中所述的含氮融合环化合物或其药学上可接受的盐与碱性添加剂不接触： 其中每个符号如说明书中所述。
• Production Method of Nitrogen-Containing Fused Ring Compounds
  申请人：Hirata Kazuyuki

  公开号：US20080064871A1

  公开（公告）日：2008-03-13

  [Problems] The present invention provides a superior production method and a superior purification method of compounds effective for the treatment or prophylaxis of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like. [Means] A compound represented by the following formula [2] or a pharmaceutically acceptable salt thereof can be produced by reacting a compound represented by the following formula [3] or a salt thereof with a compound represented by the following formula [4], a salt thereof or a reactive derivative thereof. Moreover, crystallization of a compound represented by the formula [2] can be performed with industrially superior workability, and high quality crystals of a compound represented by the formula [2] can be obtained. wherein each symbol is as defined in the description.

  本发明提供了一种优越的化合物生产方法和优越的纯化方法，用于治疗或预防涉及尿酸的病理学，如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等。 [手段] 通过将以下式[3]所代表的化合物或其盐与以下式[4]所代表的化合物、其盐或其反应衍生物反应，可以制备以下式[2]所代表的化合物或其药用可接受的盐。此外，可以以工业上优越的可操作性进行以下式[2]所代表的化合物的结晶，并且可以获得以下式[2]所代表的化合物的高质量晶体。 其中每个符号如描述中所定义。
• 多替诺德的制备方法
  申请人：苏州明锐医药科技有限公司

  公开号：CN111675675A

  公开（公告）日：2020-09-18

  本发明揭示了一种多替诺德(Dotinurad)的制备方法，以2‑氨基苯硫醇为起始原料，依次进行酰化、二碘甲烷的环合和氧化等反应，制得目标产物多替诺德。该制备过程原料易得、快捷方便、经济环保，克服了现行工艺中的甲醛使用，适于大规模工业化生产。
• Indolizine derivatives and uses in therapeutics
  申请人：S. A. Labaz-Sanofi N.V.

  公开号：US04400387A1

  公开（公告）日：1983-08-23

  Indolizine derivatives represented by the general formula: ##STR1## wherein R represents a straight- or branched-chain alkyl radical having from 1 to 8 carbon atoms, or a phenyl group non-substituted or bearing one or two substituents, which may be the same or different, selected from halogen atoms, for example fluorine, chlorine and bromine and from lower alkyl and alkoxy groups, for example methyl and methoxy and X.sub.1, X.sub.2 and X.sub.3, which may be the same or different, each represent hydrogen, chlorine, bromine or methoxy with the proviso that when they are identical X.sub.1, X.sub.2 and X.sub.3 are not simultaneously hydrogen. They possess an inhibitory activity with respect to the action of xanthine oxidase and of adenosine deaminase as well as an uricosuric action and can be used in the treatment of physiological disturbances consequent upon an excess of uric acid, upon disorders of the immunization system and as antiparasitic agents.

  印度利津衍生物的一般化学式为：##STR1##其中R代表具有1至8个碳原子的直链或支链烷基基团，或者是一个非取代的苯基团或带有一个或两个取代基，这些取代基可以是相同的也可以是不同的，选择自卤素原子，例如氟、氯和溴，以及较低的烷基和烷氧基团，例如甲基和甲氧基，以及X.sub.1、X.sub.2和X.sub.3，这些可以是相同的也可以是不同的，每个代表氢、氯、溴或甲氧基，但当它们相同时，X.sub.1、X.sub.2和X.sub.3不能同时为氢。它们具有对黄嘌呤氧化酶和腺苷脱氨酶的抑制活性，以及尿酸排泄作用，可用于治疗由尿酸过多引起的生理紊乱，免疫系统紊乱和作为抗寄生虫剂。