7-chloro-3-dimethylaminomethyl-thiochroman-4-one; hydrochloride | 83449-62-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: 7-chloro-3-dimethylaminomethyl-thiochroman-4-one; hydrochloride
• 英文别名: 7-Chlor-3-dimethylaminomethyl-thiochroman-4-on; Hydrochlorid；7-Chloro-3-(dimethylaminomethyl)thiochroman-4-one hydrochloride；7-chloro-3-[(dimethylamino)methyl]-2,3-dihydrothiochromen-4-one;hydrochloride
• CAS: 83449-62-1
• 化学式: C₁₂H₁₄ClNOS*ClH
• 分子量: 292.229
• InChiKey: DJESAPOPTHVKHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  水 、 7-chloro-3-dimethylaminomethyl-thiochroman-4-one; hydrochloride 生成 7,8'-dichloro-3',4'-dihydro-5'H-spiro[thiochroman-3,2'-thiochromeno[4,3-b]pyran]-4-one
  参考文献：
  名称：

  Chu et al., Huaxue Xuebao/Acta Chimica Sinica, 1956, vol. 22, p. 371,375

  摘要：

  DOI：

文献信息

• 3-Aralkyloxy-2,3-dihydro-2-(imidazolylmethyl)benzo(b)thiophenes and
  申请人：Schering Corporation

  公开号：US04352808A1

  公开（公告）日：1982-10-05

  3-Aralkyloxy-2,3-dihydro-2-(imidazolylmethyl(benzo(b)thiophenes and related derivatives having antifungal, antibacterial, and antiprotozoal activity are prepared by the reaction of the corresponding 2,3-dihydro-3-hydroxy-2-(imidazolylmethyl)benzo(b)thiophene or related derivative and an aralkyl halide. Preferred compounds are those where the aralkyl function is a hetercyclic aromatic, particularly 2-chloro-3-thenyl, and where the benzene nucleus is substituted by chlorine or fluorine. Pharmaceutical formulations comprising compounds of this invention are described, as well as the method for their use in treating microbial infections.

  具有抗真菌、抗菌和抗原虫活性的苯并噻吩及其相关衍生物3-Aralkyloxy-2,3-dihydro-2-(imidazolylmethyl)可通过相应的2,3-二氢-3-羟基-2-(咪唑甲基)苯并噻吩或相关衍生物与芳基卤代烷反应制备。优选的化合物是芳基卤代烷为杂环芳香族，特别是2-氯-3-烯基，苯环核被氯或氟取代。本发明还描述了包含该化合物的制药配方，以及治疗微生物感染的方法。
• Novel benzo(b)thiophenes, benzo(b)furans, thiochromans and chromans, processes for their preparation and antimicrobial compositions containing them
  申请人：SCHERING CORPORATION

  公开号：EP0054233B1

  公开（公告）日：1986-09-24
• US4352808A
  申请人：——

  公开号：US4352808A

  公开（公告）日：1982-10-05
• US4468404A
  申请人：——

  公开号：US4468404A

  公开（公告）日：1984-08-28