Diphenyl but-2-enedioate | 7242-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: Diphenyl but-2-enedioate
• CAS: 7242-17-3
• 化学式: C₁₆H₁₂O₄
• 分子量: 268.269
• InChiKey: WTIFDVLCDRBEJK-UHFFFAOYSA-N

物化性质

• 熔点：
  73°C
• 沸点：
  371.43°C (rough estimate)
• 密度：
  1.2390 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  富马酸 、 苯酚 在 N-甲基吗啉 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以6%的产率得到Phenyl fumarate
  参考文献：
  名称：

  Structure–activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A)

  摘要：

  Nicotinic acid (niacin) has been used for decades as an antidyslipidemic drug in man. Its main target is the hydroxy-carboxylic acid receptor HCA2 (GPR109A), a G protein-coupled receptor. Other acids and esters such as methyl fumarate also interact with the receptor, which constituted the basis for the current study. We synthesized a novel series of substituted propenoic acids, such as fumaric acid esters, fumaric acid amides and cinnamic acid derivatives, and determined their affinities for the HCA2 receptor. We observed a rather restricted binding pocket on the receptor with trans-cinnamic acid being the largest planar ligand in our series with appreciable affinity for the receptor. Molecular modeling and analysis of the structure-activity relationships in the series suggest a planar trans-propenoic acid pharmacophore with a maximum length of 8 angstrom and out-of-plane orientation of the larger substituents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.091

文献信息

• Photochromic Compound
  申请人：Yokoyama Yasushi

  公开号：US20090299080A1

  公开（公告）日：2009-12-03

  [Problem] To provide a photochromic compound that is rapidly colored upon irradiation with ultraviolet light, and is rapidly decolored rapidly upon heat application after termination of irradiation with ultraviolet light, and to provide a process for producing the same. [Means for Solving Problems] A photochromic compound represented by general formula (I). R 1 , R 2 and R 3 are each a hydrogen atom; a functional group containing an atom in groups 15-16 of the periodic table; a halogen atom; a hydrocarbon group optionally substituted with said functional group or a halogen atom; or an optionally substituted heterocyclic group. R 1 and R 2 as well as R 2 and R 3 may be bonded to each other to form an optionally substituted carbon or heterocyclic ring. Z is a polymantylidene group. W is a divalent organic group that forms an optionally substituted carbon aromatic or heterocyclic aromatic ring together with the carbon-carbon double bond to which it is bonded.

  提供一种光致变色化合物，该化合物在紫外光照射后迅速变色，并在紫外光照射终止后施加热量后迅速褪色的方法，以及提供其制备方法。解决问题的方法是提供一种由通式（I）表示的光致变色化合物。R1、R2和R3分别为氢原子；包含周期表第15-16族中的原子的官能团；卤素原子；可选择地用所述官能团或卤素原子取代的碳氢基团；或可选择地取代的杂环基团。R1和R2以及R2和R3可以相互连接以形成可选择地取代的碳环或杂环。Z为多曼特基团。W为二价有机基团，与其相结合的碳-碳双键形成可选择地取代的碳芳香或杂环芳香环。
• DENTAL ADHESIVE COMPOSITION
  申请人：Matsushige Koji

  公开号：US20120238658A1

  公开（公告）日：2012-09-20

  [Problems] To provide a liquid dental adhesive composition which contains a phosphoric acid-type compound having a hydrogenphosphoric diester group as an acidic group-containing polymerizable monomer and, further, contains polyvalent metal ions, effectively preventing not only the gelation but also the formation of precipitates (cloudiness) during the storage. [Means for Solution] A dental adhesive composition which is acidic and contains an acidic group-containing polymerizable monomer (A), polyvalent metal ions (B), water (C), a water-soluble organic solvent (D) and fluoride ions (E), wherein at least 35% by mole of the acidic group-containing polymerizable monomer (A) is a phosphoric acid-type compound having a hydrogenphosphoric diester group, and the contents of the fluoride ions (E) and the polyvalent metal ions (B) are so set that a valence number ratio (R F ) defined by the following formula (1): R F =V F /TV P (1) wherein V F is a valence number of the fluoride ions (E) contained in the composition, and TV P is a total valence number of the polyvalent metal ions (B) contained in the composition, satisfies a range of 0.2 to 2.0.

  提供一种液体牙科粘合剂组合物，其中包含具有氢磷酸二酯基团作为酸性基团的聚合可单体的磷酸型化合物，并且进一步含有多价金属离子，有效地防止在储存期间不仅凝胶化，还防止沉淀（混浊）的形成。解决方案是一种含有酸性和含有酸性基团的聚合可单体（A）、多价金属离子（B）、水（C）、水溶性有机溶剂（D）和氟离子（E）的牙科粘合剂组合物，其中至少35%的含有酸性基团的聚合可单体（A）是具有氢磷酸二酯基团的磷酸型化合物，并且氟离子（E）和多价金属离子（B）的含量设置得使得以下公式（1）定义的价数比率（RF）满足0.2至2.0的范围：RF=VF/TVP（1）其中VF是组合物中含有的氟离子（E）的价数，而TVP是组合物中含有的多价金属离子（B）的总价数。
• Photochromic composition
  申请人：——

  公开号：US20040173782A1

  公开（公告）日：2004-09-09

  A photochromic composition and a coating composition comprising a molecular compound of a chromene compound and an aromatic compound. The photochromic composition provides a photochromic optical material as a cured product and the coating composition is applied to a lens substrate and cured to provide a photochromic optical material. The above molecular compound is also provided.

  一种光致变色组合物和涂层组合物，包括一种色素化合物和一种芳香化合物的分子化合物。光致变色组合物提供一种光致变色光学材料作为固化产品，涂层组合物被应用于镜片基底并固化以提供光致变色光学材料。上述分子化合物也被提供。
• RADICALLY POLYMERIZABLE COMPOUND HAVING A CYCLIC DITHIOCARBONATE GROUP
  申请人：Ohta Keisuke

  公开号：US20090270574A1

  公开（公告）日：2009-10-29

  A radically polymerizable compound having a group represented by formula (1) (In the formula, R 1 to R 3 each independently represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms, X represents an alkylene group having 1 to 4 carbon atoms.) and a radically polymerizable double bond and a composition for an optical material comprising the same have a high refractive index and excellent transparency and are hard to be oxidized in thermal curing and useful as an optical material with little tinting.

  具有由式（1）表示的基团的可根本聚合化合物（在该式中，R1至R3各自独立地表示氢原子或具有1至4个碳原子的烷基基团，X表示具有1至4个碳原子的烷基基团）和具有高折射率和优异透明度的光学材料组成物，难以在热固化过程中被氧化，并且作为具有少量着色的光学材料非常有用。
• [EN] RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER<br/>[FR] COMPOSE POLYMERISABLE PAR VOIE RADICALAIRE, CONTENANT DU SOUFRE, ET POLYMERE POLYMERISABLE PAR VOIE RADICALAIRE, CONTENANT DU SOUFRE
  申请人：SHOWA DENKO KK

  公开号：WO2006033438A1

  公开（公告）日：2006-03-30

  The invention relates to a radically polymerizable sulfur-containing compound having a group represented by formula (1) and at least one selected from among groups represented by formulae (2) to (4) , a radically polymerizable sulfur-containing polymer obtained by subjecting the compound to cationic ring-opening (co)polymerization, production process thereof, a composition containing the sulfur-containing compound and/or the sulfur-containing polymer, and a cured product obtained from the composition……………. (1)(2) (3) (4)………….( R1 to R6 each independently represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms.) The cured product obtained from the radically polymerizable sulfur-containing compound and the radically polymerizable sulfur-containing polymer having a high refractive index is useful as an optical material, especially for lens material.

  该发明涉及一种具有由式（1）表示的基团和至少从式（2）到（4）中选择的基团中的一种的可进行根本聚合的含硫化合物，通过对该化合物进行阳离子环开（共）聚合获得的可进行根本聚合的含硫聚合物，其生产工艺，含有该含硫化合物和/或该含硫聚合物的组合物，以及从该组合物获得的固化产品…………（1）（2）（3）（4）…………（R1至R6分别表示氢原子或具有1至4个碳原子的烷基基团）。从具有高折射率的可进行根本聚合的含硫化合物和可进行根本聚合的含硫聚合物获得的固化产品可用作光学材料，特别是用于镜片材料。