2,2′-bis((2,4,8,10-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy)-1,1′-binaphthalene

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,2′-bis((2,4,8,10-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy)-1,1′-binaphthalene
• 英文别名: 2,4,8,10-Tetramethyl-6-[1-[2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
• 化学式: C₅₂H₄₄O₆P₂
• 分子量: 826.865
• InChiKey: BIECANPKXIVJAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.6
• 重原子数：
  60
• 可旋转键数：
  5
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  71
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4-二甲基苯酚 在 ferrous(II) sulfate heptahydrate 、 sodium persulfate 、 三乙胺 、 三氯化磷 作用下， 以 四氢呋喃 、 水 、 Petroleum ether 为溶剂， 反应 28.0h， 生成 2,2′-bis((2,4,8,10-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy)-1,1′-binaphthalene
  参考文献：
  名称：

  Synthesis of Adipic Aldehyde by n-Selective Hydroformylation of 4-Pentenal

  摘要：

  Several phosphine and phosphite ligands were tested in the hydroformylation of 4-pentenal to adipic aldehyde, a versatile starting material for industrially very relevant compounds. By varying the ligand structure we were able to increase the selectivity toward alipic aldehyde to >95%. Additionally, two molecular structures of important catalytic intermediates [(bisphosphite)RhH(CO)(2)] and one structure of a previously unknown catalyst decomposition product were obtained.

  DOI：

  10.1021/acs.organomet.5b00538

文献信息

• Synthesis of Adipic Aldehyde by <i>n</i>-Selective Hydroformylation of 4-Pentenal
  作者：Jaroslaw Mormul、Michael Mulzer、Tobias Rosendahl、Frank Rominger、Michael Limbach、Peter Hofmann

  DOI：10.1021/acs.organomet.5b00538

  日期：2015.8.24

  Several phosphine and phosphite ligands were tested in the hydroformylation of 4-pentenal to adipic aldehyde, a versatile starting material for industrially very relevant compounds. By varying the ligand structure we were able to increase the selectivity toward alipic aldehyde to >95%. Additionally, two molecular structures of important catalytic intermediates [(bisphosphite)RhH(CO)(2)] and one structure of a previously unknown catalyst decomposition product were obtained.