(3-oxo-1,3-diphenyl-propyl)-malonic acid | 4475-13-2

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: (3-oxo-1,3-diphenyl-propyl)-malonic acid
• 英文别名: (3-Oxo-1,3-diphenyl-propyl)-malonsaeure；2-Phenyl-3-benzoyl-propan-dicarbonsaeure-(1.1)；4-Oxo-2.4-diphenyl-butan-dicarbonsaeure-(1.1)；(α-Phenyl-β-benzoyl-aethyl)-malonsaeure；δ-Oxo-β.δ-diphenyl-butan-α.α-dicarbonsaeure；β-Phenyl-γ-benzoyl-propan-α.α-dicarbonsaeure；β-Phenyl-β-phenacyl-isobernsteinsaeure；2-(3-oxo-1,3-diphenylpropyl)malonate；(3-Oxo-1,3-diphenylpropyl)propanedioic acid；2-(3-oxo-1,3-diphenylpropyl)propanedioic acid
• CAS: 4475-13-2
• 化学式: C₁₈H₁₆O₅
• 分子量: 312.322
• InChiKey: HHCMOYAXJFBXPH-UHFFFAOYSA-N

物化性质

• 熔点：
  148 °C
• 沸点：
  567.4±50.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  (3-oxo-1,3-diphenyl-propyl)-malonic acid 在 sodium amalgam 、 硫酸 、 乙酸酐 作用下， 生成 (E)-3,5-diphenylpent-4-enoic acid
  参考文献：
  名称：

  Compositional dependence of elastic properties and density of glasses in the system anorthite-diopside-forsterite

  摘要：

  The compressional (nu (P)) and shear (nu (S)) wave velocities of 20 glasses in the pseudoternary system anorthite (An)-diopside (Di)-forsterite (Fo) were measured by Brillouin spectroscopy as a means of constraining the effect of composition on the elasticity of glasses. The velocity data together with measured densities were used to calculate the elastic properties: Young's modulus (E), adiabatic bulk modulus (K-S) shear modulus (G), and Poisson's ratio (sigma). The data show that different chemical constituents affect the density, velocities and elastic properties in a highly systematic way. All of the properties we examined are well described by ideal mixing of molar properties. The addition of MgO strongly increases the bulk, Young's and shear moduli. The results are compared to different models describing the elastic properties of glasses as a function of chemical composition. We show that the influence of magnesia is underestimated in previous models, in some cases due to a lack of appropriate experimental data. The relatively large values of elastic moduli for magnesia-rich glasses can be explained by the high bonding strength between magnesium and SiO4 and AlO4 tetrahedra. The strongest effect of magnesium is on the bulk modulus, the shear modulus is less affected. Therefore, Poisson's ratio shows a modest increase with increasing MgO content. The observed increase of poisson's ratio with increasing MgO content may be explained by a reduced bond strength between tetrahedra due to the addition of MgO.

  DOI：

  10.1007/s004100100253
• 作为产物：
  描述：

  2-(3-氧代-1,3-二苯基-丙基)-丙二酸二乙酯 在 甲醇 、 氢氧化钾 作用下， 生成 (3-oxo-1,3-diphenyl-propyl)-malonic acid
  参考文献：
  名称：

  Rao, H. Surya Prakash; Bharathi, B., Journal of Chemical Research, Miniprint, 1994, # 3, p. 541 - 554

  摘要：

  DOI：

文献信息

• CATALYST AND REACTION PROCESS
  申请人：Kobayashi Shu

  公开号：US20110054190A1

  公开（公告）日：2011-03-03

  Disclosed is a technology for enabling an efficient asymmetric Michael addition reaction which does not require a large amount of a malonic ester, while having a short reaction time. Specifically disclosed is a catalyst which is composed of MX 2 (wherein M is Be, Mg, Ca, Sr, Ba or Ra and X is an arbitrary group) and a compound represented by general formula [I]. [In the formula, R 7 , R 8 , R 9 and R 10 each represents a substituted cyclic group or an unsubstituted cyclic group.]

  本技术揭示了一种能够实现高效不对称Michael加成反应的技术，该技术不需要大量的马隆酸酯，同时具有短的反应时间。具体揭示了一种催化剂，由MX2（其中M为Be、Mg、Ca、Sr、Ba或Ra，X为任意基团）和通式[I]所代表的化合物组成。[在该式中，R7、R8、R9和R10分别代表取代的环状基团或未取代的环状基团。]
• PHOTOLABILE PRO-FRAGRANCES
  申请人：Henkel AG & Co. KGaA

  公开号：US20150099809A1

  公开（公告）日：2015-04-09

  Many fragrances that provide a scent of freshness tend to be highly volatile and are therefore not very economical when used in typical applications such as washing or cleaning processes, so they have to be used in relatively large quantities to be able to produce adequate effects. The disclosed photolabile pro-fragrances provide a much longer-lasting sense of fragrance, in particular with a scent of freshness, when used in typical applications, thus allowing said fragrances to be used efficiently.

  许多提供清新气味的香料往往具有高挥发性，因此在典型的应用中，如洗涤或清洁过程中使用时并不经济，因此必须使用相对大量的量才能产生足够的效果。所公开的光敏感前香料提供了更持久的香味感，特别是在典型的应用中具有清新的香味，从而使得这些香料能够有效地使用。
• Vorlaender; Knoetzsch, Justus Liebigs Annalen der Chemie, 1897, vol. 294, p. 332
  作者：Vorlaender、Knoetzsch

  DOI：——

  日期：——
• The Course of Addition of the Sodium Enolates of Malonic and Methylmalonic Esters to Benzalacetophenone and to Crotonic Ester
  作者：Arthur Michael、John Ross

  DOI：10.1021/ja01331a053

  日期：1933.4
• Kohler, American Chemical Journal, 1911, vol. 46, p. 486
  作者：Kohler

  DOI：——

  日期：——