7-氯-2-甲基庚-3-炔-2,6-二醇 | 1021867-48-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 7-氯-2-甲基庚-3-炔-2,6-二醇
• 英文名称: 7-chloro-2-methylhept-3-yne-2,6-diol
• CAS: 1021867-48-0
• 化学式: C₈H₁₃ClO₂
• 分子量: 176.643
• InChiKey: QQYZMSDDCRLBFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  7-氯-2-甲基庚-3-炔-2,6-二醇 在 氢氧化钾 作用下， 以 乙醚 为溶剂， 生成 2-methyl-5-(oxiran-2-yl)pent-3-yn-2-ol
  参考文献：
  名称：

  乙烯基和烯丙基乙炔的次卤代化和产物的一些化学转化

  摘要：

  Hypohalogenation of 2-methylhex-5-en-3-yn-2-ol, 2-methylhept-6-en-3-yn-2-ol, and their methyl ethers at 303-328 K with hydrochloric or hydrobromic acid in the presence of hydrogen peroxide involves only the double bond to produce the corresponding halohydrins in fairly high yields. Kinetic parameters of these reactions were determined, and the allylacetylenic alcohol and its methyl ether were found to be more reactive than their vinylacetylenic analogs. Acetylenic halohydrins and oxiranes derived therefrom were shown to be quite reactive compounds which may be used as building blocks in organic synthesis.

  DOI：

  10.1134/s1070428007110036
• 作为产物：
  描述：

  2-甲基-6-庚烯-3-炔-2-醇 在 盐酸 、 双氧水 作用下， 反应 7.5h， 以96.3%的产率得到7-氯-2-甲基庚-3-炔-2,6-二醇
  参考文献：
  名称：

  乙烯基和烯丙基乙炔的次卤代化和产物的一些化学转化

  摘要：

  Hypohalogenation of 2-methylhex-5-en-3-yn-2-ol, 2-methylhept-6-en-3-yn-2-ol, and their methyl ethers at 303-328 K with hydrochloric or hydrobromic acid in the presence of hydrogen peroxide involves only the double bond to produce the corresponding halohydrins in fairly high yields. Kinetic parameters of these reactions were determined, and the allylacetylenic alcohol and its methyl ether were found to be more reactive than their vinylacetylenic analogs. Acetylenic halohydrins and oxiranes derived therefrom were shown to be quite reactive compounds which may be used as building blocks in organic synthesis.

  DOI：

  10.1134/s1070428007110036