5-methyl-4(E)-hepten-2-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-methyl-4(E)-hepten-2-one
• 英文别名: (4E)-5-methyl-4-hepten-2-one；(E)-5-methylhept-4-en-2-one
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: GOYDFQWRGOQOQC-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  2-甲基丁醛 在 palladium diacetate 哌啶 、 甲酸 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 5-methyl-4(E)-hepten-2-one
  参考文献：
  名称：

  钯催化烯丙基α-烯基-β-酮酸酯的还原性脱羧。（E）-3-烯酮的新合成

  摘要：

  烯丙基-β-酮酸酯的α-烯基衍生物的还原脱羧反应是通过使用由Pd（OAc）2和PPh 3原位生成的钯（0）催化剂，以甲酸三乙铵为氢化物源，在THF中实现的。该反应可与烯丙基-β-酮酸酯的线性烯基衍生物平稳且清洁地进行，以良好至极佳的收率（73–92％）和高的立体选择性（> 98％）提供（E）-3-烯酮。

  DOI：

  10.1016/j.tetlet.2005.11.122

文献信息

• COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION
  申请人：Ishida Kenya

  公开号：US20110117147A1

  公开（公告）日：2011-05-19

  The invention relates to a cooling sensation agent composition with a prolonged cool sensation effect comprising at least one compound selected from Formula (1) wherein each of A and B is a hydrogen atom or a hydrocarbon group which may have one or more substituents, in which A and B are not hydrogen atoms simultaneously, and the total number of carbon atoms in A and B is in the range of 6 to 18; and Formulae (2) to (4) wherein R1, R2, and R3 each represent a residue of an alcohol selected from 1-menthol, 1-isopulegol, 3-(1-menthoxy)propan-1,2-diol, 2-(1-menthoxy)ethan-1-ol, 3-(1-menthoxy)propan-1-ol, 2-methyl-3-(1-menthoxy)propan-1,2-diol and para-menthan-3,8-diol), and R4 represents a residue of a branched or straight-chain, cyclic or linear, or saturated or unsaturated alcohol having 6 to 18 carbon atoms that may have one or more aromatic rings that may have a condensed ring and substituent groups such as hydroxyl and ether groups; and R6 represents a hydrocarbon group having 11 to 19 carbon atoms that may be branched and contain one or more unsaturated bonds. The invention also relates to a sensory stimulation agent composition comprising the cooling sensation agent composition; a flavor or fragrance composition, a beverage or food product, a perfume or cosmetic product, a toiletry product, a daily utensil product or grocery, a fiber, a fiber product, a cloth or a medicine comprising the cooling sensation agent composition or the sensory stimulation agent composition; a production method thereof; a cooling processing method of a fiber, fiber product or a cloth, comprising compounding the cooling sensation agent composition or the sensory stimulation agent composition; and new compounds.
• US8632792B2
  申请人：——

  公开号：US8632792B2

  公开（公告）日：2014-01-21
• [EN] COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION<br/>[FR] COMPOSITION D'AGENT DE SENSATION DE FRAÎCHEUR ET COMPOSITION D'AGENT DE STIMULATION SENSORIELLE
  申请人：TAKASAGO PERFUMERY CO LTD

  公开号：WO2009123355A2

  公开（公告）日：2009-10-08

  The invention relates to a cooling sensation agent composition with a prolonged cool sensation effect comprising at least one compound selected from Formula (1) wherein each of A and B is a hydrogen atom or a hydrocarbon group which may have one or more substituents, in which A and B are not hydrogen atoms simultaneously, and the total number of carbon atoms in A and B is in the range of 6 to 18; and Formulae (2) to (4) wherein R1, R2, and R3 each represent a residue of an alcohol selected from l-menthol, l-isopulegol, 3-(l-menthoxy)propan-1,2-diol, 2-(l-menthoxy)ethan-1-ol, 3-(l-menthoxy)propan-1-ol, 2-methyl-3-(l-menthoxy)propan-1,2-diol and para-menthan-3,8-diol), and R4 represents a residue of a branched or straight-chain, cyclic or linear, or saturated or unsaturated alcohol having 6 to 18 carbon atoms that may have one or more aromatic rings that may have a condensed ring and substituent groups such as hydroxyl and ether groups; and R6 represents a hydrocarbon group having 11 to 19 carbon atoms that may be branched and contain one or more unsaturated bonds. The invention also relates to a sensory stimulation agent composition comprising the cooling sensation agent composition; a flavor or fragrance composition, a beverage or food product, a perfume or cosmetic product, a toiletry product, a daily utensil product or grocery, a fiber, a fiber product, a cloth or a medicine comprising the cooling sensation agent composition or the sensory stimulation agent composition; a production method thereof; a cooling processing method of a fiber, fiber product or a cloth, comprising compounding the cooling sensation agent composition or the sensory stimulation agent composition; and new compounds.
• Palladium catalyzed reductive decarboxylation of allyl α-alkenyl-β-ketoesters. A new synthesis of (E)-3-alkenones
  作者：Valentine Ragoussis、Alexandros Giannikopoulos

  DOI：10.1016/j.tetlet.2005.11.122

  日期：2006.1

  The reductive decarboxylation of α-alkenyl derivatives of allyl-β-ketoesters was achieved by use of palladium(0) catalyst generated in situ from Pd(OAc)2 and PPh3, with triethylammonium formate as the hydride source, in THF. The reaction proceeds smoothly and cleanly, with linear alkenyl derivatives of allyl-β-ketoesters, to afford (E)-3-alkenones in good to excellent yields (73–92%) and high stereoselectivity

  烯丙基-β-酮酸酯的α-烯基衍生物的还原脱羧反应是通过使用由Pd（OAc）2和PPh 3原位生成的钯（0）催化剂，以甲酸三乙铵为氢化物源，在THF中实现的。该反应可与烯丙基-β-酮酸酯的线性烯基衍生物平稳且清洁地进行，以良好至极佳的收率（73–92％）和高的立体选择性（> 98％）提供（E）-3-烯酮。