4-Chloro-2-methoxy-5-nitrobenzoyl chloride | 90763-47-6

• 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: 4-Chloro-2-methoxy-5-nitrobenzoyl chloride
• CAS: 90763-47-6
• 化学式: C₈H₅Cl₂NO₄
• 分子量: 250.038
• InChiKey: CXRQOZXXIMDHFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  380.0±37.0 °C(Predicted)
• 密度：
  1.528±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Chloro-2-methoxy-5-nitrobenzoyl chloride 在 盐酸 、 tin 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 7.5h， 生成 N-(1-ethyl-2-pyrrolidinylmethyl)-2-methoxy-4-chloro-5-aminosulfonamidobenzamide
  参考文献：
  名称：

  Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides

  摘要：

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00375a009
• 作为产物：
  描述：

  4-chloro-2-methoxy-5-nitrobenzoic acid 在 氯化亚砜 作用下， 生成 4-Chloro-2-methoxy-5-nitrobenzoyl chloride
  参考文献：
  名称：

  A novel series of 6-methoxy-1H-benzotriazole-5-carboxamide derivatives with dual antiemetic and gastroprokinetic activities

  摘要：

  A novel series of 6-methoxy-1H-benzotriazole-5-carboxamide derivatives with a medium perhydroazacycle ring in the amine moiety were prepared, and their antiemetic and gastroprokinetic activities were evaluated. Among them, N-(1-ethylhexahydroazepin-3-yl)-, N-(1-ethyloctahydroazocin-3-yl)- and N-(1-ethyloctahydroazonin-3-yl)-6-methoxy-1H-benzotriazole-5-carboxamides (24, 36, 37) showed a potent antiemetic activity (inhibition of apomorphine-induced emesis in dogs) along with gastroprokinetic activity (gastric emptying in rats). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00341-2

文献信息

• Kondensierte 5-gliedrige Heterocyclen, Verfahren zu ihrer Herstellung und diese Verbindungen enthaltende Arzneimittel
  申请人：Dr. Karl Thomae GmbH

  公开号：EP0531883A1

  公开（公告）日：1993-03-17

  Die Erfindung betrifft cyclische Iminoderivate der allgemeinen Formel in der A bis G, R₁, Z₁ bis Z₆, X und Y wie im Anspruch 1 definiert sind, deren Tautomere, deren Stereoisomere, deren Gemische und deren Salze, insbesondere deren physiologisch verträgliche Salze mit anorganischen oder organischen Säuren oder Basen, welche wertvolle pharmakologische Eigenschaften aufweisen, vorzugsweise aggregationshemmende Wirkungen, diese Verbindungen enthaltende Arzneimittel und Verfahren zu ihrer Herstellung.

  本发明涉及通式如下的环状亚氨基衍生物 其中 A至G、R₁、Z₁至Z₆、X和Y（如权利要求1所定义）、它们的同分异构体、它们的立体异构体、它们的混合物和它们的盐，特别是它们与无机酸或有机酸或碱的生理相容盐，它们具有宝贵的药理特性，最好是抗聚集作用，以及含有这些化合物的药物和它们的制备工艺。
• US4052444A
  申请人：——

  公开号：US4052444A

  公开（公告）日：1977-10-04
• US5434150A
  申请人：——

  公开号：US5434150A

  公开（公告）日：1995-07-18
• Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides
  作者：Masaru Ogata、Hiroshi Matsumoto、Shiro Kida、Teruo Shiomi、Masami Eigyo、Katsumi Hirose

  DOI：10.1021/jm00375a009

  日期：1984.9

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.
• A novel series of 6-methoxy-1H-benzotriazole-5-carboxamide derivatives with dual antiemetic and gastroprokinetic activities
  作者：Yoshimi Hirokawa、Hiroshi Yamazaki、Naoyuki Yoshida、Shiro Kato

  DOI：10.1016/s0960-894x(98)00341-2

  日期：1998.8

  A novel series of 6-methoxy-1H-benzotriazole-5-carboxamide derivatives with a medium perhydroazacycle ring in the amine moiety were prepared, and their antiemetic and gastroprokinetic activities were evaluated. Among them, N-(1-ethylhexahydroazepin-3-yl)-, N-(1-ethyloctahydroazocin-3-yl)- and N-(1-ethyloctahydroazonin-3-yl)-6-methoxy-1H-benzotriazole-5-carboxamides (24, 36, 37) showed a potent antiemetic activity (inhibition of apomorphine-induced emesis in dogs) along with gastroprokinetic activity (gastric emptying in rats). (C) 1998 Elsevier Science Ltd. All rights reserved.