1-chloro-3-(4-chloro-3-methylphenoxy)propan-2-ol | 53435-01-1

• 英文名称: 1-chloro-3-(4-chloro-3-methylphenoxy)propan-2-ol
• 英文别名: 1-chloro-3-(4-chloro-3-methyl-phenoxy)-propan-2-ol；1-Chlor-3-(4-chlor-3-methyl-phenoxy)-propan-2-ol
• CAS: 53435-01-1
• 化学式: C₁₀H₁₂Cl₂O₂
• 分子量: 235.11
• InChiKey: SMCCIVIBWNHDLM-UHFFFAOYSA-N

物化性质

• 沸点：
  275-277 °C
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-chloro-3-(4-chloro-3-methylphenoxy)propan-2-ol 、 2-氨基-2-甲基-1-丙醇 生成 3-<4-Chlor-3-methyl-phenoxy>-1-<1,1-dimethyl-2-hydroxy-ethylamino>-propanol-(2)
  参考文献：
  名称：

  β-肾上腺素能阻断剂。V.1-氨基-3-（取代的苯氧基）-2-丙醇。

  摘要：

  DOI：

  10.1021/jm00304a018
• 作为产物：
  描述：

  4-氯-3-甲基苯酚 、 环氧氯丙烷 在 哌啶 作用下， 生成 1-chloro-3-(4-chloro-3-methylphenoxy)propan-2-ol
  参考文献：
  名称：

  表氯醇与一元酚和邻苯二酚的缩合

  摘要：

  DOI：

  10.1039/jr9540001571

文献信息

• Improvement and simplification of synthesis of 3-aryloxy-1,2-epoxypropanes using solvent-free conditions and microwave irradiations. Relation with medium effects and reaction mechanism
  作者：Beata K. Pchelka、Andre Loupy、Alain Petit

  DOI：10.1016/j.tet.2006.08.067

  日期：2006.11

  Some 3-aryloxy-1,2-epoxypropanes, interesting as potential synthons in beta-adrenergic receptor antagonists preparation, were obtained in excellent yields (65-96% within 2-17 min) by microwave activation (monomode system) using solid-liquid solvent-free phase transfer catalysis (PTC). The best results for the O-alkylation of some phenols with epichlorohydrin were obtained using TBAB and NaOH/K2CO3 (1:4 mol/mol) as phase transfer catalyst and more acceptable basic system, respectively. These new procedure is compared with classical methods. Significant specific microwave effect (non-purely thermal) was evidenced in all cases. They were discussed in terms of reaction medium and mechanism, taking into account the variations in polarity of the systems. (c) 2006 Elsevier Ltd. All rights reserved.