(E)-5,6-dimethylhept-4-en-2-one | 142787-70-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-5,6-dimethylhept-4-en-2-one
• CAS: 142787-70-0
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: KHDNNGOUYXXVKI-VMPITWQZSA-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：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  2,3-二甲基丁醛 、 乙酰乙酸甲酯 在 哌啶 、 溶剂黄146 、 lithium chloride 作用下， 生成 5,6-dimethyl-hept-3t-en-2-one 、 (Z)-5,6-dimethylhept-4-en-2-one 、 (E)-5,6-dimethylhept-4-en-2-one
  参考文献：
  名称：

  通过酸介导的环化替代（±）-α-异位酮和（±）-β-异位酮

  摘要：

  酸介导的三烯酮8的环化反应可容易地从2,3-二甲基丁醛（1步;五个步骤：47％收率），使用氟磺酸（6.8摩尔当量）在2-硝基丙烷中于-70°加热得到14： （±）-顺式-α-酮（9），（±）-反式-α-酮（10）和（±）-β-酮（11）的9∶1混合物（70％产率）。使用95％aq。H 2 SO 4溶液，水溶液85％。H 3 PO 4溶液或SnCl 4给出的结果较差。

  DOI：

  10.1002/hlca.19920750312

文献信息

• PROCESS FOR THE PREPARATION OF BETA-GAMMA ENE CARBONYL DERIVATIVES
  申请人：Firmenich S.A.

  公开号：EP1989170B1

  公开（公告）日：2018-04-11
• 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.
• US7932418B2
  申请人：——

  公开号：US7932418B2

  公开（公告）日：2011-04-26
• US8632792B2
  申请人：——

  公开号：US8632792B2

  公开（公告）日：2014-01-21
• [EN] PROCESS FOR THE PREPARATION OF BETA-GAMMA ENE CARBONYL DERIVATIVES<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE DÉRIVÉS CARBONYLÉS DE BÊTA-GAMMAÈNE
  申请人：FIRMENICH & CIE

  公开号：WO2007096791A1

  公开（公告）日：2007-08-30

  [EN] The present invention relates to a preparation of ß-? ene carboxylic or ketone derivatives, which may also have particular requirement on the configuration of the carbon-carbon double bond. The method requires a thermal treatment of a-ß unsaturated malonate or acetylacetonate derivatives in the presents of at least one carboxylic acid and at least one alkaline, alkaline-earth or lanthanide halide or carboxylates.
  [FR] La présente invention concerne une synthèse de dérivés carboxyliques ou de type cétone de ß-?ène, lesdits dérivés pouvant également répondre à des spécifications particulières quant à la configuration de la double liaison carbone-carbone. La méthode nécessite un traitement thermique de dérivés d'acétylacétonate ou de malonate a-ß insaturés en présence d'au moins un acide carboxylique et d'au moins un halogénure ou des carboxylates de lanthanide, de métal alcalino-terreux ou de métal alcalin.