(+/-)-(3E)-2-methyl-6-(4'-methylphenyl)-3-hepten-2-ol | 66512-58-1

• 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: (+/-)-(3E)-2-methyl-6-(4'-methylphenyl)-3-hepten-2-ol
• 英文别名: (E)-2-methyl-6-(p-methylphenyl)-3-hepten-2-ol；2-methyl-6-(4'-methylphenyl)-3-hepten-2-ol；2-Methyl-6-(p-tolyl)-3E-hepten-2-ol；(S,E)-2-Methyl-6-(p-tolyl)hept-3-en-2-ol；(E)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol
• CAS: 66512-58-1
• 化学式: C₁₅H₂₂O
• 分子量: 218.339
• InChiKey: FCWODWIUPFWVDN-VZUCSPMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 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：

  (+/-)-(3E)-2-methyl-6-(4'-methylphenyl)-3-hepten-2-ol 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 以31%的产率得到2-甲基-6-(4-甲基苯基)庚-2-烯-4-酮
  参考文献：
  名称：

  Tandem Michael–Wittig–Horner Reaction: Application to the Synthesis of Bisabolanes

  摘要：

  Bisabolane derivatives have been synthesized from para-substituted cinnamaldehydes according to a tandem Michael-Wittig-Horner reaction. This sequence was applied to a short access to (+/-)-ar-turmerone.

  DOI：

  10.1081/scc-120015768
• 作为产物：
  描述：

  对甲基肉桂醛 在 copper(l) iodide 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 3.17h， 生成 (+/-)-(3E)-2-methyl-6-(4'-methylphenyl)-3-hepten-2-ol
  参考文献：
  名称：

  Tandem Michael–Wittig–Horner Reaction: Application to the Synthesis of Bisabolanes

  摘要：

  Bisabolane derivatives have been synthesized from para-substituted cinnamaldehydes according to a tandem Michael-Wittig-Horner reaction. This sequence was applied to a short access to (+/-)-ar-turmerone.

  DOI：

  10.1081/scc-120015768

文献信息

• Two New Sesquiterpenoid Ketones from Cassia Oil
  作者：Alan F. Thomas

  DOI：10.1002/hlca.19800630631

  日期：1980.9.17

  The synthesis of 2-methyl-6-(4′-methylphenyl)-l-hepten-3-one (1) and 2-methyl-6-(4′-methylphenyl)-3-heptanone (2), constituents of the oil of Cinnamomum cassia, is described.

  2-甲基-6-（4'-甲基苯基）-1-庚烯-3-酮（1）和2-甲基-6-（4'-甲基苯基）-3-庚酮（2）的合成描述了肉桂肉桂油。
• Personal care article and method for inhibiting attachment of yeast to skin
  申请人：——

  公开号：US20030224034A1

  公开（公告）日：2003-12-04

  A personal care article including an isoprenoid compound, and a method of inhibiting attachment of pathogenic fungi to skin using an isoprenoid compound in combination with a personal care article. The isopreniod compound may be farnesol, which is particularly effective against the pathogenic yeast Candida albicans.

  一种包括异戊二烯化合物的个人护理用品，以及一种使用异戊二烯化合物与个人护理用品相结合抑制致病真菌附着皮肤的方法。异戊二烯化合物可以是法尼醇，它对致病性酵母菌 白色念珠菌。
• Vig,O.P. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1977, vol. 15, p. 991 - 992
  作者：Vig,O.P. et al.

  DOI：——

  日期：——
• PERSONAL CARE ARTICLE AND METHOD FOR INHIBITING ATTACHMENT OF YEAST TO SKIN
  申请人：KIMBERLY-CLARK WORLDWIDE, INC.

  公开号：EP1509181A1

  公开（公告）日：2005-03-02
• [EN] PERSONAL CARE ARTICLE AND METHOD FOR INHIBITING ATTACHMENT OF YEAST TO SKIN<br/>[FR] ARTICLE DE SOIN PERSONNEL ET PROCEDE EMPECHANT L'ADHERENCE DES CHAMPIGNONS A LA PEAU
  申请人：KIMBERLY CLARK CO

  公开号：WO2003101356A1

  公开（公告）日：2003-12-11

  A personal care article including an isoprenoid compound, and a method of inhibiting attachment of pathogenic fungi to skin using an isoprenoid compound in combination with a personal care article. The isopreniod compound may be farnesol, which is particularly effective against the pathogenic yeast Candida albicans.