ethyl 2,2-dimethyl-4-phenylbutanoate

• 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: ethyl 2,2-dimethyl-4-phenylbutanoate
• 英文别名: 2,2-dimethyl-4-phenyl-butyric acid ethyl ester；2,2-Dimethyl-4-phenyl-buttersaeure-aethylester；Ethyl 2,2-dimethyl-4-phenylbutanoate
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: KKJAIPAYQPQJMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  ethyl 2,2-dimethyl-4-phenylbutanoate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 2,2-dimethyl-4-phenylbutan-1-ol
  参考文献：
  名称：

  酮通过消旋氢与外消旋仲醇的对映体烷基化反应。

  摘要：

  描述了用外消旋仲醇烷基化邻二取代芳基酮的对映体收敛方法。该过程由可商购的铱催化剂介导，并通过氢借位催化进行。高度对映体富集的β-取代的酮产物通过弗里德-克来福特-克拉夫茨逆转录酰化反应容易地裂解成各种官能团。

  DOI：

  10.1039/d0cc00767f
• 作为产物：
  描述：

  2,2-二甲基-4-氧代-4-苯基丁酸 在 盐酸 、 amalgamated zinc 作用下， 生成 ethyl 2,2-dimethyl-4-phenylbutanoate
  参考文献：
  名称：

  Sengupta, Journal fur praktische Chemie (Leipzig 1954), 1938, vol. <2> 151, p. 82,93

  摘要：

  DOI：

文献信息

• Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition
  申请人：Symrise AG

  公开号：US20140023770A1

  公开（公告）日：2014-01-23

  A compound of Formula (I) or of a mixture comprising two, three, four, five, six or a plurality of different compounds of Formula (I) for the superadditive enhancement of an olfactory impression. The invention also relates to novel fragrance and/or flavor material compositions which, in addition to a compound of Formula (I) or a mixture thereof, further contains one, two, three or a plurality of further fragrance and/or flavor materials, the fragrance and/or flavor material or the further fragrance and/or flavor materials not being compound of Formula (I).

  本发明涉及一种化合物，其化学式为（I），或由两种、三种、四种、五种、六种或多种不同的化合物混合而成，用于增强嗅觉印象。本发明还涉及一种新型香气和/或风味材料组合物，该组合物除了含有化学式（I）的化合物或其混合物外，还进一步含有一种、两种、三种或多种其他香气和/或风味材料，所述香气和/或风味材料或进一步的香气和/或风味材料不是化学式（I）的化合物。
• NOVEL FRAGRANCES WITH ROSE SCENT
  申请人：SYMRISE AG

  公开号：US20210324300A1

  公开（公告）日：2021-10-21

  The present invention primarily concerns the use of compounds of the following formula (I) wherein X represents an oxygen atom, a —CHO, an —OH, or a —CH 2 OH group, a single bond or a double bond is present at the respective location of one of the dotted lines, at least one double bond is present when X is an OH group, and the 3-isopentyl or 3-isopent-2-enyl residue is connected to the ring in the ortho, meta, or para position to the X group, as perfuming and/or flavouring agents. The invention further relates to fragrance and flavour compositions containing one or more of these compounds, perfumed or flavoured articles comprising one or more of these compounds and corresponding processes for imparting, modifying and/or enhancing certain odour notes.
• Enantioconvergent alkylation of ketones with racemic secondary alcohols <i>via</i> hydrogen borrowing catalysis
  作者：Daniella M. J. Cheang、Roly J. Armstrong、Wasim M. Akhtar、Timothy J. Donohoe

  DOI：10.1039/d0cc00767f

  日期：——

  An enantioconvergent method for the alkylation of o-disubstituted aryl ketones with racemic secondary alcohols is described. This process is mediated by a commercially available iridium catalyst and proceeds via hydrogen borrowing catalysis. The highly enantioenriched β-substituted ketone products were readily cleaved to a wide range of functional groups via retro-Friedel-Crafts acylation.

  描述了用外消旋仲醇烷基化邻二取代芳基酮的对映体收敛方法。该过程由可商购的铱催化剂介导，并通过氢借位催化进行。高度对映体富集的β-取代的酮产物通过弗里德-克来福特-克拉夫茨逆转录酰化反应容易地裂解成各种官能团。
• Sengupta, Journal fur praktische Chemie (Leipzig 1954), 1938, vol. <2> 151, p. 82,93
  作者：Sengupta

  DOI：——

  日期：——