3-phenypropyl 2-methylbutyrate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-phenypropyl 2-methylbutyrate
• 英文别名: 3-phenylpropyl 2-methylbutyrate；3-Phenylpropyl 2-methylbutanoate；3-phenylpropyl 2-methylbutanoate
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: NEPBGGSRCCDGJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基丁醛 、 3-苯基丙-2-烯-1-醇 在 bis(1,5-cyclooctadiene)diiridium(I) dichloride potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以64%的产率得到(2E)-3-pheny-2-propen-1-yl 2-methylbutyrate
  参考文献：
  名称：

  [IrCl(cod)]2-catalyzed direct oxidative esterification of aldehydes with alcohols

  摘要：

  [IrCl(cod)](2) catalyzed the oxidative esteritication of a variety of aldehydes with methanol as a solvent in combination with K2CO3 under mild conditions (rt, 12 h). The oxidative esterification reaction of aliphatic aldehydes also took place with olefinic alcohols as reagents in toluene under similar conditions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.10.003

文献信息

• [IrCl(cod)]2-catalyzed direct oxidative esterification of aldehydes with alcohols
  作者：Syun-ichi Kiyooka、Yosuke Wada、Mahuyu Ueno、Takeshi Yokoyama、Reiko Yokoyama

  DOI：10.1016/j.tet.2007.10.003

  日期：2007.12

  [IrCl(cod)](2) catalyzed the oxidative esteritication of a variety of aldehydes with methanol as a solvent in combination with K2CO3 under mild conditions (rt, 12 h). The oxidative esterification reaction of aliphatic aldehydes also took place with olefinic alcohols as reagents in toluene under similar conditions. (c) 2007 Elsevier Ltd. All rights reserved.