6-甲氧基-6-甲基庚-4-炔-1,2-二醇 | 1021867-65-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 6-甲氧基-6-甲基庚-4-炔-1,2-二醇
• 英文名称: 6-methoxy-6-methylhept-4-yne-1,2-diol
• 英文别名: 6-Methoxy-6-methylhept-4-yne-1,2-diol
• CAS: 1021867-65-1
• 化学式: C₉H₁₆O₃
• 分子量: 172.224
• InChiKey: WAROIJAZMSGNCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(4-methyl-4-methoxypent-2-yn-1-yl)oxirane 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 以87%的产率得到6-甲氧基-6-甲基庚-4-炔-1,2-二醇
  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

文献信息

• Hypohalogenation of vinyl- and allylacetylenes and some chemical transformations of the products
  作者：M. G. Veliev、O. A. Sadygov、Kh. M. Alimardanov、M. I. Shatirova

  DOI：10.1134/s1070428007110036

  日期：2007.11

  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.