(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-ol | 449207-78-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-ol
• 英文别名: α-ionol；3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol；(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
• CAS: 449207-78-7
• 化学式: C₁₄H₂₄O
• 分子量: 208.344
• InChiKey: LDDHQAGSKKNKSB-PKNBQFBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-ol 在 吡啶 、 氢氧化钾 、 Lipase PS 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 25.0h， 生成 (S,E)-3-methyl-4-((R)-2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-ol
  参考文献：
  名称：

  The enantiomers of Iralia®: preparation and odour evaluation

  摘要：

  The enantiomers of methyl ionones 1 and 2 were prepared by an enzyme-catalysed approach. Their odour properties were evaluated by skilful perfumers. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.04.022
• 作为产物：
  描述：

  alpha-isomethylionone 在 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.0h， 以92%的产率得到(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-ol
  参考文献：
  名称：

  The enantiomers of Iralia®: preparation and odour evaluation

  摘要：

  The enantiomers of methyl ionones 1 and 2 were prepared by an enzyme-catalysed approach. Their odour properties were evaluated by skilful perfumers. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.04.022

文献信息

• OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME
  申请人：Yeda Research and Development Co. Ltd.

  公开号：US20140221269A1

  公开（公告）日：2014-08-07

  An odorant mixture is disclosed. The odorant mixture comprises N odorant components wherein N equals at least 20. Each odorant component is characterized by a multidimensional vector of attributes. A z score of an average of characteristic distances between vectors corresponding to odorant components in the mixture and vectors corresponding to odorant components in a group of M odorant components but not in the mixture is less than 2.
• US4877607A
  申请人：——

  公开号：US4877607A

  公开（公告）日：1989-10-31
• US9959392B2
  申请人：——

  公开号：US9959392B2

  公开（公告）日：2018-05-01
• [EN] ATTRACTANCE FOR (DACUS LATIFRONS), THE MALAYSIAN FRUIT FLY
  申请人：THE UNITED STATES OF AMERICA, represented by THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE

  公开号：WO1990003113A1

  公开（公告）日：1990-04-05

  (EN) Certain cyclohexyl and cyclohexenyl aliphatic alcohols and ketones are potent attractants for $i(Dacus latifrons), the Malaysian fruit fly. By attracting adult males to field traps, the compounds provide a means for detecting, monitoring, and controlling this agricultural pest.(FR) Certains alcools et cétones aliphatiques de cyclohexyle et de cyclohexényle sont de puissants attractifs pour $i(Dacus Latifrons), diptère malais. De par leur pouvoir attractif sur des mâles adultes dans des pièges situés sur le terrain, les composés constituent un moyen de détection, de contrôle, et de régulation de ce ravageur des cultures.
• The enantiomers of Iralia®: preparation and odour evaluation
  作者：Agnese Abate、Elisabetta Brenna、Claudio Fuganti、Luciana Malpezzi、Stefano Serra

  DOI：10.1016/j.tetasy.2007.04.022

  日期：2007.5

  The enantiomers of methyl ionones 1 and 2 were prepared by an enzyme-catalysed approach. Their odour properties were evaluated by skilful perfumers. (C) 2007 Elsevier Ltd. All rights reserved.