1-(1,5-dimethylhex-4-en-1-yl)-2,3-bis(methoxymethoxy)-4-methylbenzene | 916825-16-6

• 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: 1-(1,5-dimethylhex-4-en-1-yl)-2,3-bis(methoxymethoxy)-4-methylbenzene
• 英文别名: 2,3-Bis(methoxymethoxy)-1-methyl-4-(6-methylhept-5-en-2-yl)benzene
• CAS: 916825-16-6
• 化学式: C₁₉H₃₀O₄
• 分子量: 322.445
• InChiKey: NRCRIRAZGBGYLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(1,5-dimethylhex-4-en-1-yl)-2,3-bis(methoxymethoxy)-4-methylbenzene 在 乙酰氯 、 异丙醇 作用下， 反应 5.0h， 生成 3-(1,5-dimethylhex-4-en-1-yl)-6-methylbenzene-1,2-diol
  参考文献：
  名称：

  Use of Allylic Strain To Enforce Stereochemistry. Direct Syntheses of 7,8-Dihydroxycalamenene and Mansonone C

  摘要：

  [GRAPHICS]Direct syntheses of 7,8-dihydroxycalamenene and mansonone C were achieved. The cis-stereochemistry required for the synthesis of 7,8-dihydroxycalamenene was introduced by an intramolecular cyclization directed by allylic strain.

  DOI：

  10.1021/ol0621194
• 作为产物：
  描述：

  4-异庚烯醛 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 1-(1,5-dimethylhex-4-en-1-yl)-2,3-bis(methoxymethoxy)-4-methylbenzene
  参考文献：
  名称：

  Use of Allylic Strain To Enforce Stereochemistry. Direct Syntheses of 7,8-Dihydroxycalamenene and Mansonone C

  摘要：

  [GRAPHICS]Direct syntheses of 7,8-dihydroxycalamenene and mansonone C were achieved. The cis-stereochemistry required for the synthesis of 7,8-dihydroxycalamenene was introduced by an intramolecular cyclization directed by allylic strain.

  DOI：

  10.1021/ol0621194

文献信息

• Use of Allylic Strain To Enforce Stereochemistry. Direct Syntheses of 7,8-Dihydroxycalamenene and Mansonone C
  作者：George A. Kraus、Insik Jeon

  DOI：10.1021/ol0621194

  日期：2006.11.9

  [GRAPHICS]Direct syntheses of 7,8-dihydroxycalamenene and mansonone C were achieved. The cis-stereochemistry required for the synthesis of 7,8-dihydroxycalamenene was introduced by an intramolecular cyclization directed by allylic strain.