(E)-3,3-dimethyl-5-none-2-one | 140870-84-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-3,3-dimethyl-5-none-2-one
• 英文别名: (E)-3,3-dimethylnon-5-en-2-one
• CAS: 140870-84-4
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: BRSVSYJUDLSREX-BQYQJAHWSA-N

物化性质

• 沸点：
  226.0±9.0 °C(Predicted)
• 密度：
  0.837±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  乙酸反-2-己烯酯 、 一氧化碳 、 dimethyltitanium diisopropoxide 在 四(三苯基膦)钯 作用下， 生成 (E)-3,3-dimethyl-5-none-2-one
  参考文献：
  名称：

  烷基钛化合物与烯丙基衍生物的羰基化

  摘要：

  将三异丙氧基甲基钛（1a）或二异丙氧基二甲基钛（1b）在室温下用一氧化碳（1个大气压，气球）处理过夜（16-18小时），然后在钯催化剂存在下将反应混合物添加到各种烯丙基衍生物中（5在室温下，基于烯丙基衍生物的摩尔百分数）。在四（三苯基膦）钯存在下，由1b和乙酸肉桂酯提供（E）-3,3-二甲基-6-苯基-5-己烯-2-酮（5a），产率为57％。与反式-2-己烯基乙酸酯的类似反应也以57％的产率得到了相应的γ，δ-不饱和酮。该产物的形成将由钛η合理化2-酰基和羰基化合物的中间体。

  DOI：

  10.1016/0022-328x(92)80021-o

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.
• Carbonylation of alkyltitanium compounds with allylic derivatives
  作者：Yasushi Tsuji、Tetsuya Ishii

  DOI：10.1016/0022-328x(92)80021-o

  日期：1992.2

  carbon monoxide (1 atm, balloon) at room temperature overnight (16–18 h), and then the reaction mixture was added to various allyl derivatives in the presence of palladium catalyst (5 mob% based on the allylic derivatives) at room temperature. From 1b and cinnamyl acetate in the presence of tetrakis(triphenylphosphine)palladium, (E)-3,3-dimethyl-6-phenyl-5-hexen-2-one (5a) was afforded in 57% yield. A similar

  将三异丙氧基甲基钛（1a）或二异丙氧基二甲基钛（1b）在室温下用一氧化碳（1个大气压，气球）处理过夜（16-18小时），然后在钯催化剂存在下将反应混合物添加到各种烯丙基衍生物中（5在室温下，基于烯丙基衍生物的摩尔百分数）。在四（三苯基膦）钯存在下，由1b和乙酸肉桂酯提供（E）-3,3-二甲基-6-苯基-5-己烯-2-酮（5a），产率为57％。与反式-2-己烯基乙酸酯的类似反应也以57％的产率得到了相应的γ，δ-不饱和酮。该产物的形成将由钛η合理化2-酰基和羰基化合物的中间体。