2-cyano-3-methyl-5-phenyl-pent-2-enoic acid ethyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-cyano-3-methyl-5-phenyl-pent-2-enoic acid ethyl ester
• 英文别名: 2-Cyan-3-methyl-5-phenyl-pent-2-ensaeure-aethylester；2-Pentenoic acid, 2-cyano-3-methyl-5-phenyl-, ethyl ester；ethyl (E)-2-cyano-3-methyl-5-phenylpent-2-enoate
• 化学式: C₁₅H₁₇NO₂
• 分子量: 243.305
• InChiKey: VJFAFMBOWHDXHU-WYMLVPIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苄基丙酮 、 氰乙酸乙酯 在 乙酸铵 、 溶剂黄146 、 苯 作用下， 生成 2-cyano-3-methyl-5-phenyl-pent-2-enoic acid ethyl ester
  参考文献：
  名称：

  Cope et al., Journal of the American Chemical Society, 1941, vol. 63, p. 3455

  摘要：

  DOI：

文献信息

• [EN] HYDROLYTICALLY LABILE PRO-FRAGRANCES CONTAINING α,β UNSATURATED ESTERS<br/>[FR] PRO-PARFUMS HYDROLYTIQUEMENT LABILES CONTENANT DES ESTERS α,β INSATURÉS
  申请人：HENKEL AG & CO KGAA

  公开号：WO2020058058A1

  公开（公告）日：2020-03-26

  The present invention pertains to pro-fragrances and relates to a pro-fragrance compound of the formula (I). Furthermore, the invention relates to compositions, a laundry product, a home care product, and an insect repellant, comprising the compound of formula (I). Also encompassed are a method for preparing the compound of formula (I) and uses of a compound of formula (I) for increasing the longlastingness of a fragrance, for increasing the stability and perception of a fragrance, and for improving the adhesion of a fragrance to textiles.

  本发明涉及前香料，涉及公式(I)的前香料化合物。此外，该发明涉及包含公式(I)化合物的组合物、洗涤产品、家用产品和驱虫剂。还包括一种制备公式(I)化合物的方法，以及利用公式(I)化合物增加香气的持久性、增加香气的稳定性和感知性，以及改善香气附着在纺织品上的用途。
• BASIC CATALYSTS FOR THE ALDOL REACTION
  申请人：Novartis AG

  公开号：EP0866786B1

  公开（公告）日：2000-05-10
• HYDROLYTICALLY LABILE PRO-FRAGRANCES CONTAINING alfa, beta UNSATURATED ESTERS
  申请人：Henkel AG & Co. KGaA

  公开号：EP3853203A1

  公开（公告）日：2021-07-28
• HYDROLYTICALLY LABILE PRO-FRAGRANCES CONTAINING ALPHA, BETA UNSATURATED ESTERS
  申请人：Henkel AG & Co. KGaA

  公开号：US20210403825A1

  公开（公告）日：2021-12-30

  Pro-fragrances may have the formula (I) as disclosed herein. Compositions may include the pro-fragrances, such as a laundry product, a home care product, and an insect repellant. A method for preparing the compound of formula (I) are also disclosed. Such pro-fragrances increase the longlastingness of a fragrance, the stability of a fragrance, and the adhesion of a fragrance.