2-Ethylphenyl 3-phenylpropanoate | 143647-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2-Ethylphenyl 3-phenylpropanoate
• 英文别名: (2-ethylphenyl) 3-phenylpropanoate
• CAS: 143647-24-9
• 化学式: C₁₇H₁₈O₂
• 分子量: 254.32
• InChiKey: AVVDDKMIIQTNBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Process for producing and purifying 3,4-dihydrocoumarin
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0492940A1

  公开（公告）日：1992-07-01

  A 3-(2-cyclohexanoyl)propionic acid ester is in the presence of a solid metallic catalyst, cyclized and dehydrogenised at 100° to 350°C, optionally with solvent and promotor to given 3,4-dihydrocoumarin [D] in 30-70 mol% yield and coumarin [C] 5-35 mol% and by-product dihydrocinnamic acid [A], 0.1-20 wt%; hydrogenation can convert [C] to [D]. The reaction mixture is purified by (i) to remove acidic compounds washing with an aqueous solution of an alkali (e.g., NaOH or NAHCO₃); if a strong alkali metal or alkaline earth hydroxide is used its amount is not more than 1.5 equivalent per equivalent of [D]; the amount of solution is 0.1 to 10 times by weight that of the reaction mixture. The washing reduces the content of [A] to 1% by weight of the weight of [D], and/or (ii) to remove high boiling o-ethylphenyl cyclohexylpropionate/dihydrocinnamate to 2% by weight of that of [D] distillation at a reflux ratio of not more than 5 or in a tower having 10 stages or less, at 13-13330 Pa (0.1 to 10 Torr); (i) and (ii) can be used together in either order, followed by rectification in a 5-100 stage tower at a reflux ratio of 1 to 50, to recover [D]. The product contains not more than 0.05% of [A] and is suitable for use in perfume.

  3-(2-环己酰基)丙酸酯在固体金属催化剂存在下，于 100°至 350°C 环化和脱氢，可选择使用溶剂和促进剂，得到 3,4-二氢香豆素[D]，产率 30-70 mol%，香豆素[C]5-35 mol%，副产物二氢肉桂酸[A]0.1-20 wt%；氢化可将[C]转化为[D]。 反应混合物通过以下方法纯化：(i) 用碱（如 NaOH 或 NAHCO₃）水溶液洗涤以去除酸性化合物；如果使用强碱金属或碱土氢氧化物，其用量不超过每当量[D]1.5 个当量；溶液量为反应混合物重量的 0.1 至 10 倍。洗涤使[A]的含量降低到[D]重量的 1%，和/或(ii)除去高沸点邻乙基苯基环己基丙酸酯/二氢肉桂酸酯，使其含量降低到[D]重量的 2%。1至10托）；(i)和(ii)可按任一顺序同时使用，然后在回流比为1至50的5至100级塔中进行精馏，以回收[D]。 产品中的[A]含量不超过 0.05%，适合用于香水。
• US5218129A
  申请人：——

  公开号：US5218129A

  公开（公告）日：1993-06-08