[[2,3-Bis[bis(3,5-dimethylphenyl)-phosphanylmethyl]-4-(methoxymethyl)cyclobutyl]-bis(3,5-dimethylphenyl)methyl]phosphane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [[2,3-Bis[bis(3,5-dimethylphenyl)-phosphanylmethyl]-4-(methoxymethyl)cyclobutyl]-bis(3,5-dimethylphenyl)methyl]phosphane
• 英文别名: [[2,3-bis[bis(3,5-dimethylphenyl)-phosphanylmethyl]-4-(methoxymethyl)cyclobutyl]-bis(3,5-dimethylphenyl)methyl]phosphane
• 化学式: C₅₇H₆₉OP₃
• 分子量: 863.1
• InChiKey: SVOJBKJZFLUDRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  61
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• LIGANDS AND CATALYST SYSTEMS FOR HYDROFORMYLATION PROCESSES
  申请人：Arlt Dieter

  公开号：US20140114090A1

  公开（公告）日：2014-04-24

  The present invention relates to ligands and catalyst systems for the hydroformylation of short and long chain olefins, preferably for the hydroformylation of ally alcohol producing 4-hydroxybutyraldehyde. The ligands disclosed herein are all-trans phosphinomethyl-cyclobutane ligands, such as, for example, all-trans-1,2,3, 4-tetra[bis-(3,5-xylyl)phosphinomethyl]-cyclobutane. The catalyst systems comprise these all-trans phosphinomethyl-cyclobutane ligands in combination with an organometallic rhodium complex such as, e.g., (acctylacetonato)-dicarbonyl-rhodium (I). The ligands and catalyst systems of the present invention may be employed in the hydroformylation of olefins, in particular in the hydroformylation of allylalcohol, and provide improved selectivity and high reaction yields. wherein R 1 is alkyl, preferably methyl, ethyl or propyl, R 2 is H or an alkoxy group, R 3 and R 4 , independently of one another, CH 2 OR 1 , CH 2 O-aralkyl, CH 2 OH,CH 2 -[P(3,5-R 1 ,R 1 -4-R 2 -phenyl) 2 ] or CH 2 O-(CH 2 -CH 2 -O) m -H (with m being an integer between 1 and 1,000).