1,1-Bis(diphenylphosphino)prop-1-ene | 115167-09-4

• 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: 1,1-Bis(diphenylphosphino)prop-1-ene
• 英文别名: 1-Diphenylphosphanylprop-1-enyl(diphenyl)phosphane
• CAS: 115167-09-4
• 化学式: C₂₇H₂₄P₂
• 分子量: 410.435
• InChiKey: XRMRVCALXNWCFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  573.1±33.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,1-Bis(diphenylphosphino)prop-1-ene 在 sulfur 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 1-diphenylphosphinothioylprop-1-enyl-diphenyl-sulfanylidene-λ5-phosphane
  参考文献：
  名称：

  Sterically hindered diphosphines (Ph₂P)₂CCHR (R = Me or Ph) and their derivatives

  摘要：

  Reactions of (Ph2P)2C=CHR (R = Me or Ph) with E (E = S or Se) yielded the corresponding mono- and di-chalcogenides and the mixed S/Se derivatives, H-1, C-13 and P-31 NMR parameters for which are reported. These are rationalized in terms of conformational preferences associated with the relative P-E and phosphorus-lone pair orientations. The complexes [M(CO)4{(PhP)2C=CHR}] (M = Mo or W, R = Me or Ph) have also been prepared and have NMR parameters which can be accounted for similarly. The crystal structure of (Ph2P)2C=CHMe has been determined by single-crystal X-ray diffraction and shows that the solid-state conformation is similar to that deduced in solution on the foregoing basis.

  DOI：

  10.1039/dt9940001791
• 作为产物：
  描述：

  1,1-二氯-1-丙烯 、 三苯基膦 生成 1,1-Bis(diphenylphosphino)prop-1-ene
  参考文献：
  名称：

  聚有机磷化合物构象的合成，核磁共振和X射线晶体学研究

  摘要：

  ERH 2（E = P或As; R = Ph，CH 2 CH 2 CN，Bu或C 6 H 2 Bu t 3 -2,4,6）和（Ph 2 P）2 C CH 2或（ Ph 2 P）2 C CHR'（R'= H或Me）产生三膦（Ph 2 P）2 CHCHR'ERH和五膦[[Ph 2 P）2 CHCH 2 ] 2 ER和（Ph 2 P）2 CHCH（Me）P（Ph）CH 2 CH（PPh 2）2。其中两个键和三个键的31 P – 31 P核自旋自旋耦合常数随磷上或附近的大部分取代基而显着变化，这可能是由于构象差异造成的。（Ph 2 P）2 CHCH 2 PHPh，（Ph 2 P）2 PCHCH 2 PH（C 6 H 2 Bu t 3 -2,4,6）和[（Ph 2 P）2 CHCH 2 ] 2的结构PPh已通过X射线衍射测定，表明这些物质中的每一个在溶液中均采用与固态相似的构象。

  DOI：

  10.1039/dt9920002353

文献信息

• Polyphosphorus ligands—IV. The asymmetric unsaturated biphosphine 1,1-bis(diphenylphosphino)prop-1-ene
  作者：Jonathan L. Bookham、William McFarlane

  DOI：10.1016/s0277-5387(00)80558-6

  日期：1988.1
• Synthetic, nuclear magnetic resonance and X-ray crystallographic studies of conformations of polyorganophosphorus compounds
  作者：Jonathan L. Bookham、William McFarlane、Mark Thornton-Pett

  DOI：10.1039/dt9920002353

  日期：——

  three-bond 31P–31P nuclear spin-spin coupling constants in these vary substantially with the bulk of substituents on or near phosphorus, probably as a result of conformation differences. The structures of (Ph2P)2CHCH2PHPh, (Ph2P)2PCHCH2PH(C6H2But3-2,4,6) and [(Ph2P)2CHCH2]2PPh have been determined by X-ray diffraction and suggest that each of these species adopts a conformation in solution that is

  ERH 2（E = P或As; R = Ph，CH 2 CH 2 CN，Bu或C 6 H 2 Bu t 3 -2,4,6）和（Ph 2 P）2 C CH 2或（ Ph 2 P）2 C CHR'（R'= H或Me）产生三膦（Ph 2 P）2 CHCHR'ERH和五膦[[Ph 2 P）2 CHCH 2 ] 2 ER和（Ph 2 P）2 CHCH（Me）P（Ph）CH 2 CH（PPh 2）2。其中两个键和三个键的31 P – 31 P核自旋自旋耦合常数随磷上或附近的大部分取代基而显着变化，这可能是由于构象差异造成的。（Ph 2 P）2 CHCH 2 PHPh，（Ph 2 P）2 PCHCH 2 PH（C 6 H 2 Bu t 3 -2,4,6）和[（Ph 2 P）2 CHCH 2 ] 2的结构PPh已通过X射线衍射测定，表明这些物质中的每一个在溶液中均采用与固态相似的构象。
• Sterically hindered diphosphines (Ph₂P)₂CCHR (R = Me or Ph) and their derivatives
  作者：Jonathan L. Bookham、Fosca Conti、H. Christina E. McFarlane、William McFlane、Mark Thornton-Pett

  DOI：10.1039/dt9940001791

  日期：——

  Reactions of (Ph2P)2C=CHR (R = Me or Ph) with E (E = S or Se) yielded the corresponding mono- and di-chalcogenides and the mixed S/Se derivatives, H-1, C-13 and P-31 NMR parameters for which are reported. These are rationalized in terms of conformational preferences associated with the relative P-E and phosphorus-lone pair orientations. The complexes [M(CO)4(PhP)2C=CHR}] (M = Mo or W, R = Me or Ph) have also been prepared and have NMR parameters which can be accounted for similarly. The crystal structure of (Ph2P)2C=CHMe has been determined by single-crystal X-ray diffraction and shows that the solid-state conformation is similar to that deduced in solution on the foregoing basis.