2-(2-Nitro-phenyl)-succinic acid 4-ethyl ester 1-methyl ester | 404597-65-5

• 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: 2-(2-Nitro-phenyl)-succinic acid 4-ethyl ester 1-methyl ester
• 英文别名: 4-Ethyl 1-methyl 2-(2-nitrophenyl)butanedioate；4-O-ethyl 1-O-methyl 2-(2-nitrophenyl)butanedioate
• CAS: 404597-65-5
• 化学式: C₁₃H₁₅NO₆
• 分子量: 281.265
• InChiKey: CMAXZYJIAAFGAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2-Nitro-phenyl)-succinic acid 4-ethyl ester 1-methyl ester 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 为溶剂， 生成 2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid methyl ester 、 ethyl 2-(2-oxoindolin-3-yl)acetate
  参考文献：
  名称：

  Dimethyl malonate as a one-carbon source: a novel method of introducing carbon substituents onto aromatic nitro compounds

  摘要：

  A number of carbon substituents possessing various functional groups could be introduced onto aromatic nitro compounds using dimethyl malonate as a one-carbon source and linker. Decarboxylation of both the ester groups originating from dimethyl malonate in this methodology is particularly significant. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01809-3
• 作为产物：
  描述：

  2-Methoxycarbonyl-2-(2-nitro-phenyl)-succinic acid 4-ethyl ester 1-methyl ester 在 sodium chloride 作用下， 以 二甲基亚砜 为溶剂， 以58%的产率得到2-(2-Nitro-phenyl)-succinic acid 4-ethyl ester 1-methyl ester
  参考文献：
  名称：

  Dimethyl malonate as a one-carbon source: a novel method of introducing carbon substituents onto aromatic nitro compounds

  摘要：

  A number of carbon substituents possessing various functional groups could be introduced onto aromatic nitro compounds using dimethyl malonate as a one-carbon source and linker. Decarboxylation of both the ester groups originating from dimethyl malonate in this methodology is particularly significant. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01809-3

文献信息

• Dimethyl malonate as a one-carbon source: a novel method of introducing carbon substituents onto aromatic nitro compounds
  作者：N Selvakumar、B Yadi Reddy、G Sunil Kumar、Javed Iqbal

  DOI：10.1016/s0040-4039(01)01809-3

  日期：2001.11

  A number of carbon substituents possessing various functional groups could be introduced onto aromatic nitro compounds using dimethyl malonate as a one-carbon source and linker. Decarboxylation of both the ester groups originating from dimethyl malonate in this methodology is particularly significant. (C) 2001 Elsevier Science Ltd. All rights reserved.