3-(2,4-dimethylphenyl)propyl benzoate | 124244-00-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(2,4-dimethylphenyl)propyl benzoate
• CAS: 124244-00-4
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: YISJQFUHPXGDPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-(2,4-dimethylphenyl)propyl benzoate 在 盐酸 、 磷酸酐 、 氢氧化钾 、 sodium tetrahydroborate 、 三氯化铝 、 草酰氯 、 四氯化锡 、 pyridinium chlorochromate 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 锌 作用下， 以 乙醚 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 20.0h， 生成 3-(2,4,7-trimethylnaphthalen-1-yl)propanal
  参考文献：
  名称：

  3-Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors. 6. trans-6-[2-(Substituted-1-naphthyl)ethyl(or ethenyl)]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-ones

  摘要：

  A variety of trans-6-[2-(substituted-1-naphthyl)ethyl(or ethenyl)]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-ones were prepared and, upon conversion to their 3,5-dihydroxy carboxylates, were found to have good inhibitory activity against the enzyme 3-hydroxy-3-methylglutaryl-coenzyme A reductase, the rate-determining enzyme in cholesterogenesis. The most active compounds are 2,4,6- and 2,4,7-trichloro derivatives and would be expected to display about the same potency as the standard compactin upon resolution.

  DOI：

  10.1021/jm00164a047
• 作为产物：
  描述：

  3-(2,4-二甲基苯基)丙烷-1-醇 、 苯甲酰氯 在 吡啶 作用下， 以35.1 g的产率得到3-(2,4-dimethylphenyl)propyl benzoate
  参考文献：
  名称：

  3-Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors. 6. trans-6-[2-(Substituted-1-naphthyl)ethyl(or ethenyl)]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-ones

  摘要：

  A variety of trans-6-[2-(substituted-1-naphthyl)ethyl(or ethenyl)]-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-ones were prepared and, upon conversion to their 3,5-dihydroxy carboxylates, were found to have good inhibitory activity against the enzyme 3-hydroxy-3-methylglutaryl-coenzyme A reductase, the rate-determining enzyme in cholesterogenesis. The most active compounds are 2,4,6- and 2,4,7-trichloro derivatives and would be expected to display about the same potency as the standard compactin upon resolution.

  DOI：

  10.1021/jm00164a047