3-(4-nitrophenyl)-2-carboxy-2-propenoic acid | 54267-71-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(4-nitrophenyl)-2-carboxy-2-propenoic acid
• 英文别名: (4-nitro-benzylidene)-malonic acid；(4-Nitro-benzyliden)-malonsaeure；4-Nitro-benzalmalonsaeure；(4-Nitrobenzylidene)malonic acid；2-[(4-nitrophenyl)methylidene]propanedioic acid
• CAS: 54267-71-9
• 化学式: C₁₀H₇NO₆
• 分子量: 237.169
• InChiKey: MLBHMFODFBLWRF-UHFFFAOYSA-N

物化性质

• 熔点：
  242-244 °C
• 沸点：
  440.5±35.0 °C(Predicted)
• 密度：
  1.604±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(4-nitrophenyl)-2-carboxy-2-propenoic acid 在 乙酸铵 、 丙二酸 作用下， 以 乙醇 为溶剂， 反应 96.0h， 生成 3-amino-3-(4-nitrophenyl)propanoic acid
  参考文献：
  名称：

  A one-pot synthesis of 3-amino-3-arylpropionic acids

  摘要：

  3-Aminopropionic acids (beta-amino acids) are biologically active compounds of interest in medicinal and pharmaceutical chemistry. Twenty-one 3-amino-3-arylpropionic acids were synthesized via a facile one-pot synthesis. In addition, a series of mechanistic studies have been performed to optimize the production of these beta-amino acids. The reaction mechanism of this one-pot synthesis of beta-amino acids, as well as the electronic effect of para-substitution and the influence of solvent polarity on the proposed reaction mechanism are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00824-4
• 作为产物：
  描述：

  亚苯甲基丙二酸二乙酯 在 硫酸 、 水 、 硝酸 、 溶剂黄146 作用下， 生成 3-(4-nitrophenyl)-2-carboxy-2-propenoic acid
  参考文献：
  名称：

  XXII.—关于硝基苯丙二酸

  摘要：

  DOI：

  10.1039/ct8854700155

文献信息

• Photostable sunscreen compositions comprising cinnamic acid ester UV-B filters, dibenzoylmethane UV-A filters and s-triazine compounds
  申请人：Richard Herve

  公开号：US20070218022A1

  公开（公告）日：2007-09-20

  Photostable sunscreen compositions containing at least one cinnamic acid ester UV-B screening agent, at least one dibenzoylmethane compound UV-A screening agent and at least one particular s-triazine compound have improved effectiveness with respect to UV-B radiation, while maintaining the balance in UV-A/UV-B protection during exposure to the sun.

  含有至少一种肉桂酸酯紫外B屏蔽剂、至少一种二苯甲酮化合物紫外A屏蔽剂和至少一种特定的s-三嗪化合物的光稳定防晒霜组合物在UV-B辐射方面具有改进的效果，同时在暴露在阳光下时保持UV-A/UV-B保护的平衡。
• S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents
  申请人：Richard Herve

  公开号：US20060045859A1

  公开（公告）日：2006-03-02

  Novel s-triazine sunscreens have the structural formula (I): and are formulated into cosmetic/dermatological photoprotective compositions useful for photoprotecting keratinous substances against the damaging effects of UV-radiation.

  新型s-三嗪防晒霜具有结构式(I)：并配制成化妆品/皮肤科光保护组合物，可用于保护角质物质免受紫外辐射的损害影响。
• Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds
  申请人：Richard Herve

  公开号：US20070196294A1

  公开（公告）日：2007-08-23

  Photostable sunscreen compositions containing at least one dibenzoylmethane compound UV-A screening agent and at least one particular s-triazine compound have improved effectiveness with respect to UV-A radiation.

  含有至少一种二苯甲酮类化合物UV-A筛选剂和至少一种特定的s-三嗪化合物的光稳定防晒霜组合物在UV-A辐射方面具有更好的有效性。
• Synthesis of 5-alkylidene-1,3-dioxane-4,6-diones, an easily accessible family of axially chiral alkenes: preparation in non-racemic form and platinum binding studies
  作者：Meritxell Casadesus、Michael P. Coogan、Li-Ling Ooi

  DOI：10.1039/b608785j

  日期：——

  A general synthetic route to 5-alkylidene-1,3-dioxane-4,6-diones, which are a family of axially chiral alkenes, is described. Conformational issues are explored and the platinum-binding properties of these species are discussed. That these alkenes exist as stable enantiomers is established by their partial kinetic resolution upon reaction with cysteine.

  该论文描述了一种合成5-亚烷基-1,3-二氧杂环己烷-4,6-二酮类化合物的通用路线,这类化合物是一类轴手性烯烃。论文探讨了构象问题,并研究了这些化合物与铂的结合性质。通过这些烯烃与半胱氨酸反应时发生部分动力学拆分,证实了它们作为稳定对映体的存在。
• S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS
  申请人：Richard Herve

  公开号：US20130012373A1

  公开（公告）日：2013-01-10

  Novel s-triazine sunscreens have the structural formula (I): and are formulated into cosmetic/dermatological photoprotective compositions useful for photoprotecting keratinous substances against the damaging effects of UV-radiation.

  新型的s-三嗪类防晒剂具有结构式（I）并配制成化妆品/皮肤学光保护配方，用于保护角质蛋白物质免受紫外线辐射的损害。