| 207505-16-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 207505-16-6
• 化学式: C₄₈H₄₉N₁₂P₄Rh
• 分子量: 1020.8
• InChiKey: ULSXLLYRTPPBQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.78
• 重原子数：
  65.0
• 可旋转键数：
  16.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.16
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  、 一氧化碳 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Rhodium complexes HRh[P(NC4H4)3]4 and HRh(CO)[P(NC4H4)3]3 as active catalysts of olefins and arenes hydrogenation

  摘要：

  The rhodium hydride complexes HRh[PPhx(NC4H4)(3-x)](4) (x = 0-2) and HRh(CO)[PPhx(NC4H4)(3-x)](3) have been obtained in reactions of Rh(acac)(CO)(2) + PPhx(NC4H4)(3-x) with H-2 or H-2/CO (0.1 MPa, room temperature) respectively. The crystal structure of HRh(CO)[P(NC4H4)(3)](3) has been determined. The complex is slightly distorted trigonal bipyramidal with H and CO ligands occupying the axial positions. The Rh atom is located 0.336 Angstrom out of plane of the three equatorial P atoms. The Rh-H distance in two crystallographically independent molecules is 1.51(5) and 1.69(6) Angstrom respectively. The complexes HRh[P(NC4H4)(3)](4) and HRh(CO)[P(NC4H4)(3)](3) are active catalysts of hydrogenation reaction of olefins and arenes (cyclohexene, 1,3-cyclohexadiene, 1,4-cyclohexadiene, propenylbenzene, styrene, toluene) at 353 K and 0.5 MPa H-2. The TOF up to 836 mol/mol Rh per h have been obtained. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00508-1
• 作为产物：
  描述：

  acetylacetonatodicarbonylrhodium(l) 、 tri-1-pyrrolylphosphine 以 甲苯 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Rhodium complexes HRh[P(NC4H4)3]4 and HRh(CO)[P(NC4H4)3]3 as active catalysts of olefins and arenes hydrogenation

  摘要：

  The rhodium hydride complexes HRh[PPhx(NC4H4)(3-x)](4) (x = 0-2) and HRh(CO)[PPhx(NC4H4)(3-x)](3) have been obtained in reactions of Rh(acac)(CO)(2) + PPhx(NC4H4)(3-x) with H-2 or H-2/CO (0.1 MPa, room temperature) respectively. The crystal structure of HRh(CO)[P(NC4H4)(3)](3) has been determined. The complex is slightly distorted trigonal bipyramidal with H and CO ligands occupying the axial positions. The Rh atom is located 0.336 Angstrom out of plane of the three equatorial P atoms. The Rh-H distance in two crystallographically independent molecules is 1.51(5) and 1.69(6) Angstrom respectively. The complexes HRh[P(NC4H4)(3)](4) and HRh(CO)[P(NC4H4)(3)](3) are active catalysts of hydrogenation reaction of olefins and arenes (cyclohexene, 1,3-cyclohexadiene, 1,4-cyclohexadiene, propenylbenzene, styrene, toluene) at 353 K and 0.5 MPa H-2. The TOF up to 836 mol/mol Rh per h have been obtained. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00508-1

文献信息

• N-Pyrrolylphosphines as ligands for highly regioselective rhodium-catalyzed 1-butene hydroformylation: effect of water on the reaction selectivity
  作者：W. Alsalahi、R. Grzybek、A. M. Trzeciak

  DOI：10.1039/c7cy00200a

  日期：——

  The hydroformylation of 1-butene catalyzed by Rh(acac)(CO)2 with an excess of N-pyrrolylphosphine ligands, L = P(NC4H4)3, PPh2(NC4H4) or PPh(NC4H4)2, was investigated under the constant pressure of the synthesis gas (4-10 bar, H2/CO = 1) and 2 bar of 1-butene at temperatures ranging from 50 to 80 °C. N-pyrrolylphosphine ligands facilitated excellent selectivity towards aldehydes and regioselectivity

  在恒定压力下研究了Rh（acac）（CO）2与过量的N-吡咯基膦配体L = P（NC4H4）3，PPh2（NC4H4）或PPh（NC4H4）2催化的1-丁烯加氢甲酰化反应在50至80°C的温度范围内，可得到2克合成气（4-10 bar，H2 / CO = 1）和2 bar的1-丁烯。N-吡咯基膦配体促进了对醛的优异选择性和对线性醛的区域选择性。较高温度的应用，少量水的存在以及[L] / [Rh]的比率约为ca。13导致在短时间内获得最高的n / iso值。向反应混合物中加水后，选择性进一步提高。