[2-isopropyl-4-(o-methoxyphenyl)tetrahydropyran-4-yl]acetonitrile | 799824-29-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [2-isopropyl-4-(o-methoxyphenyl)tetrahydropyran-4-yl]acetonitrile
• 英文别名: [4-(2-methoxyphenyl)-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]acetonitrile；2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetonitrile
• CAS: 799824-29-6
• 化学式: C₁₇H₂₃NO₂
• 分子量: 273.375
• InChiKey: PPMCNHHTASMGPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [2-isopropyl-4-(o-methoxyphenyl)tetrahydropyran-4-yl]acetonitrile 在 氯化亚砜 、 三乙胺 、 potassium hydroxide 作用下， 以 乙二醇 、 苯 为溶剂， 反应 11.0h， 生成 N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide
  参考文献：
  名称：

  Acylation of amines and pyrazole with [2-isopropyl-4-(o-methoxyphenyl)-tetrahydropyran-4-yl]acetyl chloride

  摘要：

  [2-Isopropyl-4-(o-methoxyphenyl)tetrahydropyran-4-yl]acetic acid has been obtained by the hydrolysis of previously synthesized [2-isopropyl-4-(o-methoxyphenyl)tetrahydropyran-4-yl]acetonitrile. The acyl chloride prepared from this acid gave new amides and 1-acylpyrazole upon interaction with various amines and with pyrazole.

  DOI：

  10.1007/s10593-013-1241-1

文献信息

• Acylation of amines and pyrazole with [2-isopropyl-4-(o-methoxyphenyl)-tetrahydropyran-4-yl]acetyl chloride
  作者：N. S. Arutjunyan、N. Z. Hakobyan、L. A. Hakobyan、G. A. Gevorgyan、G. A. Panosyan

  DOI：10.1007/s10593-013-1241-1

  日期：2013.5

  [2-Isopropyl-4-(o-methoxyphenyl)tetrahydropyran-4-yl]acetic acid has been obtained by the hydrolysis of previously synthesized [2-isopropyl-4-(o-methoxyphenyl)tetrahydropyran-4-yl]acetonitrile. The acyl chloride prepared from this acid gave new amides and 1-acylpyrazole upon interaction with various amines and with pyrazole.