7-chloro-4-nitro-indole | 14777-84-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 7-chloro-4-nitro-indole
• 英文别名: 7-chloro-4-nitro-1H-indole
• CAS: 14777-84-5
• 化学式: C₈H₅ClN₂O₂
• 分子量: 196.593
• InChiKey: PQWJNGRUNVMGFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  吗啉 、 7-chloro-4-nitro-indole 反应 15.0h， 生成 7-Morpholino-4-nitro-indol
  参考文献：
  名称：

  杂环化合物的合成。第十七部分。苯环中带有叔胺取代基的4-硝基吲哚和硝基苯基吡唑啉酮

  摘要：

  通过卤素在相应位置的亲核取代反应，制得了在7位具有叔胺取代基的4-硝基-2-R-吲哚（R = H，CO 2 Et，CO 2 H或CO·t-胺）具有所需碱的7-氯-4-硝基吲哚。还描述了氯硝基苯基吡唑啉酮中活化卤素的取代。

  DOI：

  10.1039/j39670001003
• 作为产物：
  描述：

  7-Chlor-4-nitro-indol-carbonsaeure-(2) 在 copper(II) oxide 作用下， 以 喹啉 为溶剂， 生成 7-chloro-4-nitro-indole
  参考文献：
  名称：

  杂环化合物的合成。第十七部分。苯环中带有叔胺取代基的4-硝基吲哚和硝基苯基吡唑啉酮

  摘要：

  通过卤素在相应位置的亲核取代反应，制得了在7位具有叔胺取代基的4-硝基-2-R-吲哚（R = H，CO 2 Et，CO 2 H或CO·t-胺）具有所需碱的7-氯-4-硝基吲哚。还描述了氯硝基苯基吡唑啉酮中活化卤素的取代。

  DOI：

  10.1039/j39670001003

文献信息

• NOVEL 6-5 BICYCIC HETEROCYCLIC DERIVATIVE AND MEDICAL USE THEREOF
  申请人：Sanwa Kagaku Kenkyusho Co., Ltd

  公开号：EP2036887A1

  公开（公告）日：2009-03-18

  An object of the present invention is to provide a medicament as a thyroid hormone receptor ligand which is sufficient in drug efficacy and safety, and has the excellent action as a drug. The present invention provides a compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof: [wherein [Chemical Formula 2] is a single bond or a double bond; A is -CH2- or -CO-; X, Y, and Z are each independently a nitrogen atom or a carbon atom; R1 is a hydrogen atom or an aralkyl group; R2 is an alkyl group or an aralkyl group, etc.; R3 is a hydrogen atom or an alkyl group, etc.; R4 is a hydrogen atom or an alkyl group; R5 is a hydrogen atom, an alkyl group or a halo lower alkyl group, etc.; R6 is a hydrogen atom or an alkyl group; R7 is a hydrogen atom, etc.; R8 is a hydrogen atom, or an alkyl group, etc.; and E is -NHCO-G-COR12, etc. (wherein G is a single bond or an alkylene group, and R12 is a hydroxy group or an alkoxy group)].

  本发明的目的是提供一种药物，作为甲状腺激素受体配体，其在药物疗效和安全性上足够，并且具有作为药物的优秀作用。本发明提供了一种由以下通式（I）表示的化合物或其药用可接受的盐：[其中[化学公式2]是单键或双键；A是-CH2-或-CO-；X、Y和Z各自独立为氮原子或碳原子；R1是氢原子或芳烷基团；R2是烷基团或芳烷基团等；R3是氢原子或烷基团等；R4是氢原子或烷基团；R5是氢原子、烷基团或卤素低烷基团等；R6是氢原子或烷基团；R7是氢原子等；R8是氢原子或烷基团等；E是-NHCO-G-COR12等（其中G是单键或亚烷基团，R12是羟基或烷氧基）]。
• NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY
  申请人：Asano Yukiyasu

  公开号：US20090176841A1

  公开（公告）日：2009-07-09

  An object of the present invention is to provide a medicament as a thyroid hormone receptor ligand which is sufficient in drug efficacy and safety, and has the excellent action as a drug. The present invention provides a compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof: [wherein [Chemical Formula 2] is a single bond or a double bond; A is —CH 2 — or —CO—; X, Y, and Z are each independently a nitrogen atom or a carbon atom; R 1 is a hydrogen atom or an aralkyl group; R 2 is an alkyl group or an aralkyl group, etc.; R 3 is a hydrogen atom or an alkyl group, etc.; R 4 is a hydrogen atom or an alkyl group; R 5 is a hydrogen atom, an alkyl group or a halo lower alkyl group, etc.; R 6 is a hydrogen atom or an alkyl group; R 7 is a hydrogen atom, etc.; R 8 is a hydrogen atom, or an alkyl group, etc.; and E is —NHCO-G-COR 12 , etc. (wherein G is a single bond or an alkylene group, and R 12 is a hydroxy group or an alkoxy group)].

  本发明的目的是提供一种作为甲状腺激素受体配体的药物，具有充分的药效和安全性，并具有优秀的药物作用。本发明提供了以下通式（I）所表示的化合物或其药学上可接受的盐：[其中[化学式2]是单键或双键；A是-CH2-或-CO-；X、Y和Z分别是氮原子或碳原子；R1是氢原子或芳基烷基；R2是烷基或芳基烷基等；R3是氢原子或烷基等；R4是氢原子或烷基；R5是氢原子、烷基或卤代低烷基等；R6是氢原子或烷基；R7是氢原子等；R8是氢原子或烷基等；E是-NHCO-G-COR12等（其中G是单键或烷基亚基，R12是羟基或烷氧基）]。
• Syntheses of heterocyclic compounds. Part XVII. 4-Nitroindoles and nitrophenylpyrazolones with tertiary amine substituents in the benzene ring
  作者：D. P. Ainsworth、H. Suschitzky

  DOI：10.1039/j39670001003

  日期：——

  4-Nitro-2-R-indoles (R = H, CO2Et, CO2H, or CO·t-amine) having a tertiary amine substituent in the 7-position have been prepared by nucleophilic displacement of halogen in the corresponding 7-chloro-4-nitroindole with the required base. Substitution of the activated halogen in chloronitrophenyl pyrazolones is also described.

  通过卤素在相应位置的亲核取代反应，制得了在7位具有叔胺取代基的4-硝基-2-R-吲哚（R = H，CO 2 Et，CO 2 H或CO·t-胺）具有所需碱的7-氯-4-硝基吲哚。还描述了氯硝基苯基吡唑啉酮中活化卤素的取代。