3-(4-chloro-2,6-dimethyl-phenoxy)-propane-1,2-diol | 69557-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-chloro-2,6-dimethyl-phenoxy)-propane-1,2-diol
• 英文别名: 3-(4-Chlor-2,6-dimethyl-phenoxy)-propan-1,2-diol；3-(4-Chloro-2,6-dimethylphenoxy)propane-1,2-diol；3-(4-chloro-2,6-dimethylphenoxy)propane-1,2-diol
• CAS: 69557-47-7
• 化学式: C₁₁H₁₅ClO₃
• 分子量: 230.691
• InChiKey: KPYUMFYOCMTOQS-UHFFFAOYSA-N

物化性质

• 熔点：
  64.5-65 °C
• 沸点：
  389.4±37.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  4-氯-2,6-二甲基苯酚 、 3-氯-1,2-丙二醇 在 sodium hydroxide 作用下， 生成 3-(4-chloro-2,6-dimethyl-phenoxy)-propane-1,2-diol
  参考文献：
  名称：

  Muscle-paralyzing Compounds Related to Mephenesin

  摘要：

  DOI：

  10.1021/ja01128a019

文献信息

• ——
  作者：Z. A. Bredikhina、D. V. Savel'ev、A. A. Bredikhin

  DOI：10.1023/a:1015561532507

  日期：——

  A number of 3-aryloxypropanedioles were obtained by treating glycidol with phenols. The latter with thionyl chloride afforded 4-aryloxymethyl-1,3,2-dioxathiolane 2-oxides. These compounds were also obtained from 4-chloromethyl-1,3,2-dioxathiolane 2-oxides by substitution aryloxy group for chlorine. The cyclic sulfides synthesized are universal intermediates in the synthesis of chiral aryloxypropanolamines among which are known beta-adrenoblockaders, cardiovascular drugs. From (S)-glycidol, (S)-alprenolol, (S)-propanolol, and (S)-thymolol were synthesized.
• Muscle-paralyzing Compounds Related to Mephenesin
  作者：B. J. Ludwig、W. A. West、W. E. Currie

  DOI：10.1021/ja01128a019

  日期：1952.4