di(pyrrol-1-yl)-(4,4,4',4'-tetramethyl-8-pyrrol-1-ylphosphanyl-2,2'-spirobi[3H-chromene]-8'-yl)phosphane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: di(pyrrol-1-yl)-(4,4,4',4'-tetramethyl-8-pyrrol-1-ylphosphanyl-2,2'-spirobi[3H-chromene]-8'-yl)phosphane
• 化学式: C₃₃H₃₅N₃O₂P₂
• 分子量: 567.6
• InChiKey: RIFDMZONVOSZQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  40
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] BIDENTATE LIGANDS FOR HYDROFORMYLATION OF ETHYLENE<br/>[FR] LIGANDS BIDENTÉS POUR L'HYDROFORMYLATION DE L'ÉTHYLÈNE
  申请人：DOW TECHNOLOGY INVESTMENTS LLC

  公开号：WO2014088800A1

  公开（公告）日：2014-06-12

  A process for the hydroformylation of ethylene, with a transition metal, e.g., rhodium, catalyst promoted with a bidentate ligand of Formula I, II or III in which each R1 -R24 are independently a hydrogen, a hydrocarbyl group, an aromatic ring, a heteroaromatic ring or a halogen atom, or a heterocarbyl group. X1 is CH2 or O, while X2 is O or C(R25)2, where each R25 may be the same or different and is a hydrogen, a cycloaliphatic group, an aromatic ring, a heteroaromatic ring or a halogen atom, or a heterocarbyl group, wherein two R25 groups may combine in a fused ring, and Y is a pyrrole group bound via the nitrogen atom to phosphorus, wherein each pyrrole group may bear multiple substituents selected from among the groups alkyl, alkoxy, acyl, carboxyl, carboxylate, cyano, -SO3H, sulfonate, amino, trifluoromethyl and halogen.