6-Prop-2-en-(Z)-ylidene-cyclohexa-2,4-dienone | 83372-67-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-Prop-2-en-(Z)-ylidene-cyclohexa-2,4-dienone
• 英文别名: alpha-Allenylphenol；(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-one
• CAS: 83372-67-2
• 化学式: C₉H₈O
• 分子量: 132.162
• InChiKey: RIMAEDPDUDOBPD-YVMONPNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• 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

文献信息

• [EN] PROCESS FOR THE DIFFERENTIAL SOLUBILITY-DRIVEN ASYMMETRIC TRANSFORMATION OF SUBSTITUTED 2H-CHROMENE-3-CARBOXYLIC ACIDS<br/>[FR] PROCÉDÉ DE TRANSFORMATION ASYMÉTRIQUE COMMANDÉE PAR SOLUBILITÉ DIFFÉRENTIELLE D'ACIDES 2H-CHROMÈNE-3-CARBOXYLIQUES SUBSTITUÉS
  申请人：ASKAT INC

  公开号：WO2020153279A1

  公开（公告）日：2020-07-30

  This invention relates to a method for preparing a desired isomer of a substituted 2-trifluoromethyl-2H-chromene-3-carboxylic acid, which is characterized by comprising: (a) contacting the substituted 2-trifluoromethyl-2H-chromene-3-carboxylic acid with a chiral amine to form salts, wherein the chiral amine is selected so that the solubility of the amine salt of the undesired substituted 2-trifluoromethyl-2H-chromene-3-carboxylic acid is greater than the amine salt of the desired substituted 2-trifluoromethyl-2H-chromene-3-carboxylic acid, and (b) irradiating the mixture with an ultraviolet (UV) light, wherein the irradiation increases the amount of the less soluble chiral amine salt of the substituted of the 2-trifluoromethyl-2H-chromene-3-carboxylic acid in the mixture.

  本发明涉及一种制备取代2-三氟甲基-2H-香豆素-3-羧酸所需异构体的方法，其特征在于包括：（a）将取代的2-三氟甲基-2H-香豆素-3-羧酸与手性胺接触形成盐，其中选择的手性胺使得不需要的取代2-三氟甲基-2H-香豆素-3-羧酸的胺盐溶解度大于所需的取代2-三氟甲基-2H-香豆素-3-羧酸的胺盐，（b）用紫外（UV）光照射混合物，其中照射增加了混合物中取代的2-三氟甲基-2H-香豆素-3-羧酸的不溶性手性胺盐的量。
• PROCESS FOR THE DIFFERENTIAL SOLUBILITY-DRIVEN ASYMMETRIC TRANSFORMATION OF SUBSTITUTED 2H-CHROMENE-3-CARBOXYLIC ACIDS
  申请人：AskAt Inc.

  公开号：US20220144792A1

  公开（公告）日：2022-05-12

  This invention relates to a method for preparing a desired isomer of a substituted 2-trifluoromethyl-2H-chromene-3-carboxylic acid, which is characterized by comprising: (a) contacting the substituted 2-trifluoromethyl-2H-chromene-3-carboxylic acid with a chiral amine to form salts, wherein the chiral amine is selected so that the solubility of the amine salt of the undesired substituted 2-trifluoromethyl-2H-chromene-3-carboxylic acid is greater than the amine salt of the desired substituted 2-trifluoromethyl-2H-chromene-3-carboxylic acid, and (b) irradiating the mixture with an ultraviolet (UV) light, wherein the irradiation increases the amount of the less soluble chiral amine salt of the substituted of the 2-trifluoromethyl-2H-chromene-3-carboxylic acid in the mixture.