[5,7-di(tert-butyl)-2,3-dihydro-3,3-dimethyl-1H-phosphindole-κP]((ethane-1,2-diyl)bis[diisopropylphosphine-κP])hydrorhodium | 401569-85-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [5,7-di(tert-butyl)-2,3-dihydro-3,3-dimethyl-1H-phosphindole-κP]((ethane-1,2-diyl)bis[diisopropylphosphine-κP])hydrorhodium
• CAS: 401569-85-5
• 化学式: C₃₂H₆₂P₃Rh
• 分子量: 642.671
• InChiKey: PVKYFTHARCODJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.19
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  二氯甲烷 、 [5,7-di(tert-butyl)-2,3-dihydro-3,3-dimethyl-1H-phosphindole-κP]((ethane-1,2-diyl)bis[diisopropylphosphine-κP])hydrorhodium 以 二氯甲烷 为溶剂， 以89%的产率得到chloro[5,7-di(tert-butyl)-2,3-dihydro-3,3-dimethyl-1H-phosphindole-κP]((ethane-1,2-diyl)bis[diisopropylphosphine-κP])rhodium
  参考文献：
  名称：

  Generation and Reactivity of {(Ethane-1,2-diyl)bis[diisopropylphosphine-κP]}-{[2,4,6-tri(tert-butyl)phenyl]phosphino-κP}rhodium ([Rh{PH(tBu3C6H2)}(iPr2PCH2CH2PiPr2)]): Catalytic C−P Bond Formationvia Intramolecular C−H/P−H Dehydrogenative Cross-Coupling

  摘要：

  The complex [Rh(eta (3)-benzyl)(dippe)] (1: dippe = bis(diisopropylphosphino)ethane = (ethane-1,2-diyl)bis-[diisopropylphosphine]) reacted cleanly with Mes*PH2 (2; Mes* = 2,4,6-'Bu3C6H2) to provide a new Rh species [Rh(H)(dippe)(L)] (3). L being the 2,3-dihydro-3-3-dimethyl-1H-phosphindole ligind4(= 'Bu2C6H2(CMe2CH2PH)) (Scheme 1). Complex 3 was converted to the corresponding chloride [Rh(Cl)(dippe)(L)] (6) when treated with CH2Cl2, whereas the dimeric species [Rh-2{mu-'Bu2C6H2(CMe2CH2P)}(mu -H)(dippe)(2)] (7) was formed upon thermolysis in toluene (Scheme 2). The structures of 6 and 7(.)C(7)H(8) were determined by X-ray crystallography. Complexes 1 and 3 served as catalyst precursors for the dehydrogenative coupling of C-H and P-H bonds in the conversion of 2 to 4 (Scheme 3). Deuteration studies with Mes* PD2 exposed a complex series of bond-activation pathways that appear to involve C-H activation of the dippe ligand by the Rh-atom (Schemes 4 and 5).

  DOI：

  10.1002/1522-2675(20011017)84:10<2958::aid-hlca2958>3.0.co;2-l
• 作为产物：
  描述：

  [Rh(η3-benzyl)(bis(diisopropylphosphino)ethane)] 、 (2,4,6-三-叔-丁基苯基)膦 以 正戊烷 为溶剂， 以87%的产率得到[5,7-di(tert-butyl)-2,3-dihydro-3,3-dimethyl-1H-phosphindole-κP]((ethane-1,2-diyl)bis[diisopropylphosphine-κP])hydrorhodium
  参考文献：
  名称：

  Generation and Reactivity of {(Ethane-1,2-diyl)bis[diisopropylphosphine-κP]}-{[2,4,6-tri(tert-butyl)phenyl]phosphino-κP}rhodium ([Rh{PH(tBu3C6H2)}(iPr2PCH2CH2PiPr2)]): Catalytic C−P Bond Formationvia Intramolecular C−H/P−H Dehydrogenative Cross-Coupling

  摘要：

  The complex [Rh(eta (3)-benzyl)(dippe)] (1: dippe = bis(diisopropylphosphino)ethane = (ethane-1,2-diyl)bis-[diisopropylphosphine]) reacted cleanly with Mes*PH2 (2; Mes* = 2,4,6-'Bu3C6H2) to provide a new Rh species [Rh(H)(dippe)(L)] (3). L being the 2,3-dihydro-3-3-dimethyl-1H-phosphindole ligind4(= 'Bu2C6H2(CMe2CH2PH)) (Scheme 1). Complex 3 was converted to the corresponding chloride [Rh(Cl)(dippe)(L)] (6) when treated with CH2Cl2, whereas the dimeric species [Rh-2{mu-'Bu2C6H2(CMe2CH2P)}(mu -H)(dippe)(2)] (7) was formed upon thermolysis in toluene (Scheme 2). The structures of 6 and 7(.)C(7)H(8) were determined by X-ray crystallography. Complexes 1 and 3 served as catalyst precursors for the dehydrogenative coupling of C-H and P-H bonds in the conversion of 2 to 4 (Scheme 3). Deuteration studies with Mes* PD2 exposed a complex series of bond-activation pathways that appear to involve C-H activation of the dippe ligand by the Rh-atom (Schemes 4 and 5).

  DOI：

  10.1002/1522-2675(20011017)84:10<2958::aid-hlca2958>3.0.co;2-l