tribromo-thiophene-2-carboxylic acid methyl ester | 24647-80-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: tribromo-thiophene-2-carboxylic acid methyl ester
• 英文别名: 3,4,5-tribromo-thiophene-2-carboxylic acid methyl ester；3,4,5-Tribrom-thiophen-2-carbonsaeure-methylester；Methyl-3,4,5-tribrom-2-thiophencarboxylat；Methyl 3,4,5-tribromothiophene-2-carboxylate
• CAS: 24647-80-1
• 化学式: C₆H₃Br₃O₂S
• 分子量: 378.867
• InChiKey: DKJRFAFPCROFRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tribromo-thiophene-2-carboxylic acid methyl ester 在 正丁基锂 、 sodium hexamethyldisilazane 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 6-Hydroxythieno[3,2-b]thiophene-5-carboxylic acid
  参考文献：
  名称：

  Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists

  摘要：

  The optimization of a series of thieno[3,2-b]thiophene-2-carboxylic acid derivatives for agonist activity against the GPR35 is reported. Compounds were optimized to achieve beta-arrestin-biased agonism for developing probe molecules that may be useful for elucidating the biology and physiology of GPR35. Compound 13 was identified to the most potent GPR35 agonist, and compounds 30 and 36 exhibited the highest efficacy to cause beta-arrestin translocation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.057
• 作为产物：
  描述：

  3,4,5-三溴-2-噻吩甲酸 在 五氯化磷 作用下， 生成 tribromo-thiophene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Steinkopf; Koehler, Justus Liebigs Annalen der Chemie, 1936, vol. 522, p. 17,26

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS<br/>[FR] THIOPHÈNECARBOXAMIDES ET ANALOGUES SUBSTITUÉS UTILISÉS EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：BAYER AG

  公开号：WO2020007905A1

  公开（公告）日：2020-01-09

  The present disclosure relates to thienyloxazolones and analogues thereof of formula (III) that may be used for protecting plants from bacterial diseases, in particular from bacterial diseases caused by bacteria belonging to the genus Xanthomonas.

  本公开涉及Formula (III)的噻吩氧唑酮及其类似物，可用于保护植物免受细菌病害，特别是由属于黄单胞菌属的细菌引起的细菌病害。
• SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS
  申请人：Bayer Aktiengesellschaft

  公开号：EP3818050A1

  公开（公告）日：2021-05-12
• Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists
  作者：Huayun Deng、Jieyu Hu、Haibei Hu、Mingqian He、Ye Fang

  DOI：10.1016/j.bmcl.2012.04.057

  日期：2012.6

  The optimization of a series of thieno[3,2-b]thiophene-2-carboxylic acid derivatives for agonist activity against the GPR35 is reported. Compounds were optimized to achieve beta-arrestin-biased agonism for developing probe molecules that may be useful for elucidating the biology and physiology of GPR35. Compound 13 was identified to the most potent GPR35 agonist, and compounds 30 and 36 exhibited the highest efficacy to cause beta-arrestin translocation. (C) 2012 Elsevier Ltd. All rights reserved.
• Steinkopf; Koehler, Justus Liebigs Annalen der Chemie, 1936, vol. 522, p. 17,26
  作者：Steinkopf、Koehler

  DOI：——

  日期：——