(1Z,4Z)-1,5-diphenyl-1,4-pentadiene-3-one | 58321-78-1

• 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: (1Z,4Z)-1,5-diphenyl-1,4-pentadiene-3-one
• 英文别名: 1c,5c-diphenyl-penta-1,4-dien-3-one；1c.5c-diphenyl-pentadien-(1.4)-one-(3)；1c.5c-Diphenyl-pentadien-(1.4)-on-(3)；cis,cis-1,5-Diphenyl-pentadien-(1,4)-on-(3)；cis,cis-3-Oxo-1,5-diphenyl-pentadien-(1,4)；Dibenzalacetone, (1Z,4Z)-；(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one
• CAS: 58321-78-1
• 化学式: C₁₇H₁₄O
• 分子量: 234.298
• InChiKey: WMKGGPCROCCUDY-XSYHWHKQSA-N

物化性质

• 沸点：
  130 °C(Press: 0.02 Torr)
• 密度：
  1.100±0.06 g/cm3(Predicted)
• 保留指数：
  2122

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  苯甲醛 、 丙酮 在 sodium hydroxide 作用下， 反应 2.0h， 生成 4-羟基-4-苯基丁烷-2-酮 、 联甲基苯乙烯酮 、 (1Z,4Z)-1,5-diphenyl-1,4-pentadiene-3-one 、 (dibenzylidene)acetone 、 苄叉丙酮
  参考文献：
  名称：

  Features of the chromatography-mass spectrometric identification of condensation products of the carbonyl compounds

  摘要：

  By the example of the condensation products of acetone with the simplest aromatic carbonyl compounds it was shown that the joint interpretation of mass spectrometric and chromatographic data in conjunction with a priori assumptions about the nature of the chemical structure allows the detection of the components of reaction mixtures that were not previously characterized by standard mass spectra or by retention indices on standard stationary phases. A necessary condition for solving such problems is creating a hypothesis about the sample composition that is possible for the expected products of the known organic reactions.

  DOI：

  10.1134/s1070363211090143

文献信息

• [EN] ROR-GAMMA INHIBITORS<br/>[FR] INHIBITEURS DE ROR-GAMMA
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019063748A1

  公开（公告）日：2019-04-04

  The present invention relates to compounds of formula I and pharmaceutical compositions comprising compounds of formula I. Compounds of Formula I are useful in treatment of inflammatory, metabolic or autoimmune diseases which are mediated by RORy.

  本发明涉及公式I的化合物和包含公式I化合物的药物组合物。公式I的化合物在治疗由RORγ介导的炎症性、代谢性或自身免疫性疾病方面是有用的。