4-氯-3-硝基苯乙酸 | 163395-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氯-3-硝基苯乙酸
• 中文别名: 3-硝基-4-氯苯乙酸
• 英文名称: 3-chloro-4-nitrophenylacetic acid
• 英文别名: 2-(3-chloro-4-nitrophenyl)acetic acid
• CAS: 163395-25-3
• 化学式: C₈H₆ClNO₄
• 分子量: 215.593
• InChiKey: KSQUWMUXPVUNQK-UHFFFAOYSA-N

物化性质

• 沸点：
  405.1±30.0 °C(Predicted)
• 密度：
  1.532±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 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：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  C

反应信息

• 作为反应物：
  描述：

  4-氯-3-硝基苯乙酸 在 potassium carbonate 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.5h， 生成 18-Nitro-2-oxa-9,12-diazatricyclo[13.3.1.13,7]icosa-1(18),3,5,7(20),15(19),16-hexaene-10,13-dione
  参考文献：
  名称：

  A Convergent Synthesis of 14-Membered F-O-G Ring Analogs of the Teicoplanin Binding Pocket via Intramolecular SNAr Reaction

  摘要：

  An intramolecular SNAr reaction for efficient macrocyclization via biaryl ether formation was developed for syntheses of the 14-membered macrocycles 2 and 3 related to F-O-G ring of teicoplanin 1. Chloride as well as fluoride could be used as the leaving group in this reaction. However, the latter was preferred since it required milder conditions. Both ortho and para nitro, fluoro disubstituted aromatic rings were suitable for the macrocyclization reaction with tethered aryl oxides. The nonproteinogenic alpha-amino acid 23, required for the synthesis of 3, was prepared via an asymmetric Strecker synthesis using (R)-phenylglycinol as a chiral auxiliary. The overall synthetic strategy was convergent, and the cyclization could be performed in the presence of the highly sensitive arylglycine unit without racemization.

  DOI：

  10.1021/jo00125a026
• 作为产物：
  描述：

  methyl 3-chloro-4-nitrobenzeneacetate 在 盐酸 作用下， 生成 4-氯-3-硝基苯乙酸
  参考文献：
  名称：

  A Convergent Synthesis of 14-Membered F-O-G Ring Analogs of the Teicoplanin Binding Pocket via Intramolecular SNAr Reaction

  摘要：

  An intramolecular SNAr reaction for efficient macrocyclization via biaryl ether formation was developed for syntheses of the 14-membered macrocycles 2 and 3 related to F-O-G ring of teicoplanin 1. Chloride as well as fluoride could be used as the leaving group in this reaction. However, the latter was preferred since it required milder conditions. Both ortho and para nitro, fluoro disubstituted aromatic rings were suitable for the macrocyclization reaction with tethered aryl oxides. The nonproteinogenic alpha-amino acid 23, required for the synthesis of 3, was prepared via an asymmetric Strecker synthesis using (R)-phenylglycinol as a chiral auxiliary. The overall synthetic strategy was convergent, and the cyclization could be performed in the presence of the highly sensitive arylglycine unit without racemization.

  DOI：

  10.1021/jo00125a026

文献信息

• Heteroaromatic glucokinase activators
  申请人：——

  公开号：US20010039344A1

  公开（公告）日：2001-11-08

  2,3-Di-substituted N-heteroaromatic propionamides with said substitution at the 2-position being a substituted phenyl group and at the 3-position being a cycloalkyl ring, said propionamides being glucokinase activators which increase insulin secretion in the treatment of type II diabetes.

  2,3-二取代N-杂环丙酰胺，其中2-位取代为取代苯基，3-位取代为环烷基环，这些丙酰胺是葡萄糖激酶激活剂，可增加胰岛素分泌，用于治疗2型糖尿病。
• Pyrazole glucokinase activators
  申请人：Berthel Steven Joseph

  公开号：US20080021032A1

  公开（公告）日：2008-01-24

  Disclosed herein are pyrazole glucokinase activators of the formula (I) useful for the treatment of metabolic diseases and disorders, preferably diabetes mellitus.

  本文披露了一种式(I)的吡唑葡萄糖激酶激活剂，用于治疗代谢性疾病和紊乱，最好是糖尿病。
• Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators
  申请人：——

  公开号：US20030225283A1

  公开（公告）日：2003-12-04

  2,3-Di-substituted N-heteroaromatic propionamides with said substitution at the 2-position being a substituted phenyl group and at the 3-position being a polar ring, said propionamides being glucokinase activators which increase insulin secretion in the treatment of type II diabetes.

  2,3-二取代N-杂环丙酰胺，其中2-位置的取代物是取代苯基，3-位置的取代物是极性环，这些丙酰胺是葡萄糖激酶激活剂，可增加胰岛素分泌，用于治疗2型糖尿病。
• Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators
  申请人：——

  公开号：US20020042512A1

  公开（公告）日：2002-04-11

  Substituted benzene acetamide compounds which are glucokinase activators and pharmaceutically acceptable salts thereof.

  替代苯乙酰胺化合物，可激活葡萄糖激酶并且其药用盐。
• NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：US20170217970A1

  公开（公告）日：2017-08-03

  To provide a novel compound having a HER2 inhibitory effect and having a cytostatic effect. It is also intended to provide a medicament useful in the prevention and/or treatment of a disease involving HER2, particularly, cancer, on the basis of the HER2 inhibitory effect. The present invention provides a compound of formula (I) wherein X, Y, Z 1 , Z 2 , Z 3 , Z 4 , W, n, R 1 , R 2 , and R 3 have meanings as defined in the present specification, or a salt thereof.

  提供一种具有HER2抑制作用和细胞静止作用的新化合物。还旨在提供一种药物，基于HER2抑制作用，可用于预防和/或治疗涉及HER2的疾病，特别是癌症。本发明提供一种具有以下结构的化合物（I），其中X、Y、Z1、Z2、Z3、Z4、W、n、R1、R2和R3的含义如本说明书中定义，或其盐。