(2E)-3-hydroxymethyl-7-methylocta-2,6-dien-1-ol | 100582-43-2

• 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: (2E)-3-hydroxymethyl-7-methylocta-2,6-dien-1-ol
• 英文别名: α-acaridiolal；α-(E)-acaridiol；β-Hydroxygeraniol；(e)-2-(4-Methyl-3-pentenyl)-2-butene-1,4-diol；(E)-2-(4-methylpent-3-enyl)but-2-ene-1,4-diol
• CAS: 100582-43-2
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: GIABTDUEDSBLGQ-UXBLZVDNSA-N

物化性质

• 沸点：
  297.6±28.0 °C(Predicted)
• 密度：
  0.970±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2E)-3-hydroxymethyl-7-methylocta-2,6-dien-1-ol 在 三溴化磷 、 三乙胺 作用下， 以 吡啶 、 二氯甲烷 、 Petroleum ether 为溶剂， 反应 38.0h， 生成 4-<3-(Acetoxymethyl)-7-methyl-2,6-octadienyl>cumarin
  参考文献：
  名称：

  Wolfrum, Christian; Bohlmann, Ferdinand, Liebigs Annalen der Chemie, 1989, p. 295 - 298

  摘要：

  DOI：
• 作为产物：
  描述：

  5-溴-2-甲基-2-戊烯 在 吡啶 、 magnesium 、 三氯氧磷 作用下， 反应 2.83h， 生成 (2E)-3-hydroxymethyl-7-methylocta-2,6-dien-1-ol
  参考文献：
  名称：

  Leal, Walter Soares; Kuwahara, Yasumasa; Nakano, Yumiko, Agricultural and Biological Chemistry, 1989, vol. 53, # 4, p. 1193 - 1196

  摘要：

  DOI：

文献信息

• (<i>E</i>)-2-(2-Hydroxyethylidene)-6-methyl-5-heptenal (α-Acariolal) and (<i>E</i>)-2-(2-Hydroxyethyl)-6-methyl-2,5-heptadienal (β-Acariolal), Two New Types of Isomeric Monoterpenes…
  作者：Nobuhiro SHIMIZU、Hirokazu TARUI、Naoki MORI、Ritsuo NISHIDA、Yasumasa KUWAHARA

  DOI：10.1271/bbb.67.308

  日期：2003.1

  The opisthonotal gland secretion of the acarid mite, Caloglyphus polyphyllae, contained two new monoterpenes, (E)-2-(2-hydroxyethylidene)-6-methyl-5-heptenal (1) and (E)-2-(2-hydroxyethyl)-6-methyl-2,5-heptadienal (2), to which we have given the trivial names α- and β-acariolal in relation to α- and β-acaridial (3 and 4), respectively. Elucidation of the structure of 1 was established mainly from 1H-NMR and GC/MS spectral data after partial purification, together with the fact that 1 was recovered in the more-polar fraction from a silica gel column than α- and β-acaridial (3 and 4) present in the secretion. Compound 2 was obtained in the same fraction as a mixture with 1. Based on the facts that 2 had the same molecular weight by GC/MS and the same polarity as that of 1, compound 2 was assumed to be a structural analog of 1. The structures of compounds 1 and 2 were confirmed by their synthesis in nine and ten respective steps starting from α-bromo-γ-butyrolactone.

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• Cookson, Richard C.; Liverton, Nigel J., Journal of the Chemical Society. Perkin transactions I, 1985, p. 1589 - 1596
  作者：Cookson, Richard C.、Liverton, Nigel J.

  DOI：——

  日期：——
• WOLFRUM, CHRISTIAN;BOHLMANN, FERDINAND, LIEPIGS ANN. CHEM.,(1989) N, C. 295-298
  作者：WOLFRUM, CHRISTIAN、BOHLMANN, FERDINAND

  DOI：——

  日期：——
• LEAL, WALTER SOARES;KUWAHARA, YASUMASA;NAKANO, YUMIKO;NAKAO, HIROSHI;SUZU+, AGR. AND BIOL. CHEM., 53,(1989) N, C. 1193-1196
  作者：LEAL, WALTER SOARES、KUWAHARA, YASUMASA、NAKANO, YUMIKO、NAKAO, HIROSHI、SUZU+

  DOI：——

  日期：——
• US5068453A
  申请人：——

  公开号：US5068453A

  公开（公告）日：1991-11-26