methyl β-(E)-ionol | 436099-48-8

• 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: methyl β-(E)-ionol
• 英文别名: 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-ol；(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
• CAS: 436099-48-8；68259-41-6
• 化学式: C₁₄H₂₄O
• 分子量: 208.344
• InChiKey: DZSNHSUUMHDJRJ-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  3
• 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：

  methyl β-(E)-ionol 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 12.0h， 生成 (E)-1-(2,6,6-三甲基-1-环己烯-1-基)戊-1-烯-3-酮
  参考文献：
  名称：

  合成中，β-和γ-Iralia的绝对构型的嗅觉评估和判定®异构体

  摘要：

  甲基紫罗兰酮异构体的区域选择性合成6 - 9进行说明。γ-异构体8和9的对映异构体是通过酶介导的相应的4-羟基衍生物的拆分，然后还原性消除羟基而制备的。后一种化合物的绝对构型通过与已知的α-异构体的化学相关性确定。由于所有获得的异构体下Iralia的商品名人工紫罗兰增味剂的成分®，它们的气味性质是由调香师的专业评估。

  DOI：

  10.1016/j.tetasy.2008.09.028
• 作为产物：
  描述：

  (E)-3-(2,6,6-Trimethyl-cyclohex-1-enyl)-propenal 、 乙基溴化镁 以 乙醚 为溶剂， 生成 methyl β-(E)-ionol
  参考文献：
  名称：

  合成中，β-和γ-Iralia的绝对构型的嗅觉评估和判定®异构体

  摘要：

  甲基紫罗兰酮异构体的区域选择性合成6 - 9进行说明。γ-异构体8和9的对映异构体是通过酶介导的相应的4-羟基衍生物的拆分，然后还原性消除羟基而制备的。后一种化合物的绝对构型通过与已知的α-异构体的化学相关性确定。由于所有获得的异构体下Iralia的商品名人工紫罗兰增味剂的成分®，它们的气味性质是由调香师的专业评估。

  DOI：

  10.1016/j.tetasy.2008.09.028

文献信息

• Process for the preparation of 1-(2,2,6-trimethylcyclohexyl)-3-alkanols
  申请人：——

  公开号：US20020082457A1

  公开（公告）日：2002-06-27

  The present invention relates to a process for the preparation of 1-(2,2,6-trimethylcyclohexyl)-3-alkanols with a content of at least 15% of trans isomers, based on the total amount of the 1-(2,2,6-trimethylcyclohexyl)-3-alkanol, by catalytic hydrogenation, where a) 1-(2,6,6-trimethyl-1 or 2-cyclohexen-1-yl)-1-alken-3-ones are reacted in the presence of ruthenium-containing catalysts or catalyst mixtures, or b) 1 -(2,6,6-trimethyl-1 or 2-cyclohexen-1-yl)-1-alken-3-ols are reacted in the presence of catalysts which contain 1 or more elements of groups Ib, VIb and VIII of the Periodic Table of the Elements.

  本发明涉及一种通过催化氢化制备反式异构体含量至少为 15%的 1-(2,2,6-三甲基环己基)-3-烷醇的工艺，其中 a) 1-(2,6、1-(2,6,6-三甲基-1 或 2-环己烯-1-基)-1-烯-3-酮在含钌催化剂或催化剂混合物存在下进行反应，或 b) 1-(2,6,6-三甲基-1 或 2-环己烯-1-基)-1-烯-3-醇在含有元素周期表 Ib、VIb 和 VIII 族中 1 个或多个元素的催化剂存在下进行反应。
• COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS
  申请人：Matsunami Hiroaki

  公开号：US20100248390A1

  公开（公告）日：2010-09-30

  The present invention relates to compositions and methods for identifying odorant-odorant receptor interactions. In particular, the present invention relates to in silico methods for identifying odorant receptor-odorant interactions based on chemical and physical properties of odorant receptors and odorants.
• SILICONE COMPOUNDS
  申请人：The Procter & Gamble Company

  公开号：US20190010293A1

  公开（公告）日：2019-01-10

  The present application relates to silicone compounds, compositions, packaged products and displays comprising such silicone compounds, and processes for making and using such compositions, packaged products and displays comprising such compositions. Such compositions have improved deposition and retention properties that may impart improved benefit characteristics to a composition and/or situs yet which changes its hydrophilicity/charge when desired. Such silicone compounds solve the further problem of malodor reduction as, in addition to maldor masking, such compounds block a malodor's access to a sensory cell, yet leave such sensor cell open to other molecules, for example scent molecules. Thus, the malodor control technologies disclosed herein do not unduly interfere with the scent of the perfumed or unperfumed situs that is treated with the malodor control technology.
• Synthesis, olfactory evaluation and determination of the absolute configuration of the β- and γ-Iralia® isomers
  作者：Assem Barakat、Elisabetta Brenna、Claudio Fuganti、Stefano Serra

  DOI：10.1016/j.tetasy.2008.09.028

  日期：2008.10

  synthesis of the methyl-ionone isomers 6–9 is described. The enantiomers of the γ-isomers 8 and 9 are prepared by enzyme-mediated resolution of the corresponding 4-hydroxy derivatives followed by reductive elimination of the hydroxy group. The absolute configuration of the latter compound is determined by chemical correlation with the known α-isomers. Since all the isomers obtained are components of the

  甲基紫罗兰酮异构体的区域选择性合成6 - 9进行说明。γ-异构体8和9的对映异构体是通过酶介导的相应的4-羟基衍生物的拆分，然后还原性消除羟基而制备的。后一种化合物的绝对构型通过与已知的α-异构体的化学相关性确定。由于所有获得的异构体下Iralia的商品名人工紫罗兰增味剂的成分®，它们的气味性质是由调香师的专业评估。