<4-(1-methylethyl)phenyl>(3,5-dimethylisoxazol-4-yl)carbinol | 90672-49-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: <4-(1-methylethyl)phenyl>(3,5-dimethylisoxazol-4-yl)carbinol
• 英文别名: (3,5-dimethyl-isoxazol-4-yl)-(4-isopropyl-phenyl)-methanol；p-Cumenyl-(3.5-dimethyl-isoxazolyl-4)-carbinol
• CAS: 90672-49-4
• 化学式: C₁₅H₁₉NO₂
• 分子量: 245.321
• InChiKey: YOWFCTNLVFNYLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.26
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  <4-(1-methylethyl)phenyl>(3,5-dimethylisoxazol-4-yl)carbinol 在 氯化亚砜 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 反应 16.5h， 生成 1-[(3,5-Dimethyl-isoxazol-4-yl)-(4-isopropyl-phenyl)-methyl]-piperazine
  参考文献：
  名称：

  Heterocyclic analogs of chlorcyclizine with potent hypolipidemic activity

  摘要：

  A series of [alpha-(heterocyclyl)benzyl]piperazines was synthesized and their effect of reducing serum cholesterol and triglyceride levels in the rat was evaluated. A systematic exploration of the structure-activity relationships led to the synthesis of (R,S)-(3,5-dimethylisoxazol-4-yl)[4-(1-methylethyl)phenyl] (4-methylpiperazin-1-yl)methane dihydrochloride (M&B 31 426), which had potent activity in lowering serum lipid levels at a daily oral dose of 2 mg/kg and was 100 times more potent than clofibrate.

  DOI：

  10.1021/jm00376a002
• 作为产物：
  描述：

  4-[chloro-(4-isopropyl-phenyl)-methyl]-3,5-dimethyl-isoxazole 在 lead(II) oxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 <4-(1-methylethyl)phenyl>(3,5-dimethylisoxazol-4-yl)carbinol
  参考文献：
  名称：

  Kochetkov,N.K. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 3641 - 3646

  摘要：

  DOI：