acetoxy-1 heptene-4 | 42125-32-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: acetoxy-1 heptene-4
• 英文别名: acetic acid hept-4-enyl ester；Essigsaeure-hept-4-enylester；(E)-4-Hepten-1-yl, acetate；[(E)-hept-4-enyl] acetate
• CAS: 42125-32-6
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: LBUNBCQWMRAHCY-SNAWJCMRSA-N

物化性质

• 沸点：
  161.7±9.0 °C(predicted)
• 密度：
  0.896±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
• 保留指数：
  1013;1014

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  acetoxy-1 heptene-4 生成 (Z,E)-hepta-1,4-diene
  参考文献：
  名称：

  Riobe, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1948, vol. 226, p. 1626

  摘要：

  DOI：
• 作为产物：
  描述：

  heptene-4 ol-1 、 乙酸酐 生成 acetoxy-1 heptene-4
  参考文献：
  名称：

  Riobe, Annales de Chimie (Cachan, France), 1949, vol. <12>4, p. 628

  摘要：

  DOI：

文献信息

• Metathese d'acetates d'alcools ω-insatures
  作者：Jacques Levisalles、Didier Villemin

  DOI：10.1016/0040-4020(80)80163-3

  日期：1980.1

  Esters of alkenoic acids, including insect pheromones as examples, have been synthesized using alkene metathesis reactions.

  链烯酸的酯，包括昆虫信息素作为例子，已经使用链烯复分解反应合成。
• SYNTHESIS OF OLEFINIC ALCOHOLS VIA ENZYMATIC TERMINAL HYDROXYLATION
  申请人：Provivi, Inc.

  公开号：US20160108436A1

  公开（公告）日：2016-04-21

  In certain aspects, the present invention provides methods for producing terminally hydroxylated alkenes and alkynes by contacting an unsaturated or saturated hydrocarbon substrate with a hydroxylase enzyme. Exemplary terminal hydroxylases useful for carrying out the methods of the invention exhibit strong selectivity towards one terminal carbon of a hydrocarbon substrate and include, but are not limited to, non-heme diiron alkane monooxygenases, cytochromes P450 (e.g., cytochromes P450 of the CYP52 and CYP153 family), as well as long chain alkane hydroxylases. In some embodiments, the terminally hydroxylated alkene or alkyne is further converted to a terminal alkenal. In certain embodiments, terminally hydroxylated alkenes and alkynes are useful as insect pheromones which modify insect behavior. In other embodiments, terminally hydroxylated alkenes and alkynes are useful intermediates for producing pheromones via acetylation or oxidation of the alcohol moiety.

  在某些方面，本发明提供了一种通过将不饱和或饱和的碳氢基质与一种羟化酶酶接触来生产端羟基化烯烃和炔烃的方法。用于执行本发明方法的示例端羟化酶对碳氢基质中的一个端碳具有强选择性，包括但不限于非血红素二铁烷烃单加氧酶、细胞色素P450（例如CYP52和CYP153家族的细胞色素P450）以及长链烷烃羟化酶。在某些实施例中，端羟基化的烯烃或炔烃进一步转化为端烯醛。在某些实施例中，端羟基化的烯烃和炔烃可用作改变昆虫行为的昆虫信息素。在其他实施例中，端羟基化的烯烃和炔烃是通过醋酸化或氧化醇基团来产生信息素的有用中间体。
• [EN] FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS<br/>[FR] COMPOSITIONS DE PARFUM ET D'ARÔME CONTENANT DES ESTERS D'ALCADIÉNYLE ISOMÈRES
  申请人：BEDOUKIAN RES INC

  公开号：WO2018022580A1

  公开（公告）日：2018-02-01

  A composition containing at least one isomeric alkadienyl ester in an amount effective to impart a fragrance or flavor to the composition. A fragrance or flavor composition containing at least one isomeric alkadienyl ester in an amount effective to impart a fragrance or flavor to the composition. A consumer product containing the fragrance or flavor composition having at least one isomeric alkadienyl ester in an amount effective to impart a fragrance or flavor to the composition. A method of imparting a fragrance or flavor to a consumer product by adding to the consumer product a fragrance or flavor composition containing at least one isomeric alkadienyl ester in an amount effective to impart a fragrance or flavor to the consumer product.

  一种含有至少一种异构的烯二酸酯的组合物，其含量足以赋予组合物香味或味道。一种香味或味道组合物，其含有至少一种异构的烯二酸酯，其含量足以赋予组合物香味或味道。一种消费品，其含有香味或味道组合物，其中至少含有一种异构的烯二酸酯，其含量足以赋予组合物香味或味道。一种通过向消费品添加至少一种异构的烯二酸酯的香味或味道组合物的方法，其含量足以赋予消费品香味或味道。
• Fragrance and flavor compositions containing isomeric alkadienyl esters
  申请人：BEDOUKIAN RESEARCH, INC.

  公开号：US10863758B2

  公开（公告）日：2020-12-15

  A composition containing at least one isomeric alkadienyl ester in an amount effective to impart a fragrance or flavor to the composition. A fragrance or flavor composition containing at least one isomeric alkadienyl ester in an amount effective to impart a fragrance or flavor to the composition. A consumer product containing the fragrance or flavor composition having at least one isomeric alkadienyl ester in an amount effective to impart a fragrance or flavor to the composition. A method of imparting a fragrance or flavor to a consumer product by adding to the consumer product a fragrance or flavor composition containing at least one isomeric alkadienyl ester in an amount effective to impart a fragrance or flavor to the consumer product.

  一种含有至少一种异构烷二烯酯的组合物，其有效用量可为该组合物带来香味或风味。一种香料或香精组合物，含有至少一种异构烷二烯酯，其有效用量可赋予组合物香味或风味。含有至少一种异构烷二烯基酯的香料或香精组合物的消费品，其含量能有效地赋予组合物香味或风味。一种向消费品中添加香料或香精组合物的方法，该香料或香精组合物含有至少一种异构烷二烯酯，其用量可有效地向消费品中添加香料或香精。
• WENKERT, E.;MICHELOTTI, E. L.;SWINDELL, CH. S.;TINGOLI, M., J. ORG. CHEM., 1984, 49, N 25, 4894-4899
  作者：WENKERT, E.、MICHELOTTI, E. L.、SWINDELL, CH. S.、TINGOLI, M.

  DOI：——

  日期：——