3-methyl-undeca-4,6-diyn-3-ol | 333753-95-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyl-undeca-4,6-diyn-3-ol
• 英文别名: 3-Methylundeca-4,6-diyn-3-ol
• CAS: 333753-95-0
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: SXVIJEUDELCNAK-UHFFFAOYSA-N

物化性质

• 沸点：
  284.2±23.0 °C(predicted)
• 密度：
  0.934±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  3-methyl-undeca-4,6-diyn-3-ol 在 sodium hydroxide 作用下， 以 xylene 为溶剂， 以70%的产率得到1,3-octadiyne
  参考文献：
  名称：

  Synthesis of Polyacetylenic Acids Isolated from Heisteria acuminata

  摘要：

  [GRAPHICS]Four linear polyacetylenic compounds were synthesized. Pentadeca-6,8,10-triynoic acid 1 and octadeca-8,10,12-triynoic acid 2 were synthesized by using acetylene coupling reactions. The syntheses of (Z)-hexadec-11-en-7,9-diynoic acid 3 and (Z)-octadec-12-en-7,9-diynoic acid 4 by using vinylic telluride coupling reactions were accomplished.

  DOI：

  10.1021/ol006946v
• 作为产物：
  描述：

  1-碘-1-己炔 、 3-甲基-1-戊炔-3-醇 在 四氢吡咯 、 copper(l) iodide 作用下， 以95%的产率得到3-methyl-undeca-4,6-diyn-3-ol
  参考文献：
  名称：

  Synthesis of Polyacetylenic Acids Isolated from Heisteria acuminata

  摘要：

  [GRAPHICS]Four linear polyacetylenic compounds were synthesized. Pentadeca-6,8,10-triynoic acid 1 and octadeca-8,10,12-triynoic acid 2 were synthesized by using acetylene coupling reactions. The syntheses of (Z)-hexadec-11-en-7,9-diynoic acid 3 and (Z)-octadec-12-en-7,9-diynoic acid 4 by using vinylic telluride coupling reactions were accomplished.

  DOI：

  10.1021/ol006946v

文献信息

• Chemistry of polyenic and polyynic compounds Communication 18. Diacetylenic amines
  作者：B. P. Gusev、V. V. Tatarchuk、I. N. Azerbaev、V. F. Kucherov

  DOI：10.1007/bf00847754

  日期：1966.7
• Synthesis of Polyacetylenic Acids Isolated from <i>Heisteria</i> <i>a</i><i>cuminata</i>
  作者：Gilson Zeni、Rodrigo B. Panatieri、Eliseo Lissner、Paulo H. Menezes、Antonio L. Braga、Hélio A. Stefani

  DOI：10.1021/ol006946v

  日期：2001.3.1

  [GRAPHICS]Four linear polyacetylenic compounds were synthesized. Pentadeca-6,8,10-triynoic acid 1 and octadeca-8,10,12-triynoic acid 2 were synthesized by using acetylene coupling reactions. The syntheses of (Z)-hexadec-11-en-7,9-diynoic acid 3 and (Z)-octadec-12-en-7,9-diynoic acid 4 by using vinylic telluride coupling reactions were accomplished.