1-Oxopropan-2-yl octadecanoate | 135431-74-2

• 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: 1-Oxopropan-2-yl octadecanoate
• 英文别名: 1-oxopropan-2-yl octadecanoate
• CAS: 135431-74-2
• 化学式: C₂₁H₄₀O₃
• 分子量: 340.547
• InChiKey: JCAMZNZIUBVWSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  24
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [Rh(acac)(CO)2] 、 硬脂酸酯乙烯基 、 一氧化碳 在 1,3-bis[(diphenylphosphino)oxy]-1,3-diphenylpropane 、 氢气 作用下， 以 甲苯 为溶剂， 90.0 ℃ 、4.0 MPa 条件下， 反应 6.0h， 生成 1-Oxopropan-2-yl octadecanoate
  参考文献：
  名称：

  Regioselective hydroformylation of vinyl esters catalyzed by Rh(acac)(CO)2 with simple and efficient diphosphinite ligands

  摘要：

  Simple and efficient diphosphinite ligands were evaluated in rhodium catalyzed hydroformylation of vinyl acetate. The effect of various reaction variables like temperature, pressure, substrate/Rh ratio, P/Rh ratio, solvents, time and different types of phosphorous ligands were studied. The diphosphinite ligand exhibited a considerable impact on the hydroformylation of vinyl esters and provided good turnover number (up to 10,000) with excellent regioselectivity (99%) to branched aldehyde. Wide range of vinyl esters including long chain aliphatic vinyl esters (up to C18) were well tolerated to provide good to excellent yield of desired product. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.catcom.2013.12.002

文献信息

• Regioselective hydroformylation of vinyl esters catalyzed by Rh(acac)(CO)2 with simple and efficient diphosphinite ligands
  作者：Shoeb R. Khan、Bhalchandra M. Bhanage

  DOI：10.1016/j.catcom.2013.12.002

  日期：2014.2

  Simple and efficient diphosphinite ligands were evaluated in rhodium catalyzed hydroformylation of vinyl acetate. The effect of various reaction variables like temperature, pressure, substrate/Rh ratio, P/Rh ratio, solvents, time and different types of phosphorous ligands were studied. The diphosphinite ligand exhibited a considerable impact on the hydroformylation of vinyl esters and provided good turnover number (up to 10,000) with excellent regioselectivity (99%) to branched aldehyde. Wide range of vinyl esters including long chain aliphatic vinyl esters (up to C18) were well tolerated to provide good to excellent yield of desired product. (C) 2013 Elsevier B.V. All rights reserved.