2-烯丙基-2-（4-硝基苯基）丙二酸二甲酯 | 404597-63-3

• 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: 2-烯丙基-2-（4-硝基苯基）丙二酸二甲酯
• 英文名称: 2-Allyl-2-(4-nitro-phenyl)-malonic acid dimethyl ester
• 英文别名: Dimethyl 2-allyl-2-(4-nitrophenyl)malonate；dimethyl 2-(4-nitrophenyl)-2-prop-2-enylpropanedioate
• CAS: 404597-63-3
• 化学式: C₁₄H₁₅NO₆
• 分子量: 293.276
• InChiKey: VYZNNCKJDVKCJN-UHFFFAOYSA-N

物化性质

• 沸点：
  370.1±42.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-烯丙基-2-（4-硝基苯基）丙二酸二甲酯 在 sodium chloride 作用下， 以 水 、 二甲基亚砜 为溶剂， 以61%的产率得到1-丁-3-烯基-4-硝基苯
  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：

  对氟硝基苯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-烯丙基-2-（4-硝基苯基）丙二酸二甲酯
  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.