[η(5)-C5H5Mn(CO)(NO)(PPh2Bz)](+)BF4(-) | 206365-34-6

• 英文名称: [η(5)-C5H5Mn(CO)(NO)(PPh2Bz)](+)BF4(-)
• CAS: 206365-34-6
• 化学式: BF₄*C₂₅H₂₂MnNO₂P
• 分子量: 541.172
• InChiKey: JXASWTYFKTUTBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [η(5)-C5H5Mn(CO)(NO)(PPh2Bz)](+)BF4(-) 在 DBU or LDA 作用下， 以 氘代丙酮 为溶剂， 生成
  参考文献：
  名称：

  Comparison of the neutral benzyldiphenylphosphine complexes C6H6Cr(CO)2PPh2Bz and C5H5Mn(CO)2PPh2Bz with the isoelectronic manganiobenzyldiphenylphosphonium salts [C5R5Mn(CO)(NO)PPh2Bz]BF4

  摘要：

  The photolytically or thermally induced substitution reactions of C6C6(CO)(3), C5H5Mn(CO)(3) or [C5R5Mn(CO)(2)(NO)]BF4 (R = H CH3) with PPh(2)Bz led to isoelectronic benzyldiphenylphosphine complexes of half sandwich type C6H6Cr(CO)(2)PPh(2)Bz (1), C5H5Mn(CO)(2)PPh(2)Bz (2), [C5H5Mn(CO)(NO)(PPh(2)Bz)]BF4 (3a) and [C5Me5Mn(CO)(NO)(PPh(2)Bz)] BF4 (3b). In contrast to the neutral compounds 1 and 2, the phosphonium salts 3a, 3b can be deprotonated at the alpha-methylene group by bases such as DBU and LDA to give the neutral manganiodiphenylalkylidenephosphoranes C5R5Mn(CO)(NO)(PPh2=CHPh) (4a, 4b). H-1-, C-13-, P-31{H-1}-NMR, IR and mass spectra of 1-4 are given. Crystals of 1 are orthorhombic, space group Pbca, with a = 19.960(3), b = 16.599(3) and c = 14.573(3) Angstrom, Z = 8 and R = 0.0521 for 2433 observed reflections. Crystals of 2 and 3a are monoclinic, space group P21/c, with a = 9.730(3), b = 23.123(6) and c = 9.784(3) Angstrom, Z = 4 and R = 0.0430 for 2512 observed reflections for 2, and a = 12.457(3), b = 10.597(3) and c = 18.764(5) Angstrom, Z = 4 and R = 0.0477 for 2765 observed reflections for 3a. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(97)05873-8
• 作为产物：
  描述：

  、 苄基二苯膦 以 甲醇 为溶剂， 以73%的产率得到[η(5)-C5H5Mn(CO)(NO)(PPh2Bz)](+)BF4(-)
  参考文献：
  名称：

  Comparison of the neutral benzyldiphenylphosphine complexes C6H6Cr(CO)2PPh2Bz and C5H5Mn(CO)2PPh2Bz with the isoelectronic manganiobenzyldiphenylphosphonium salts [C5R5Mn(CO)(NO)PPh2Bz]BF4

  摘要：

  The photolytically or thermally induced substitution reactions of C6C6(CO)(3), C5H5Mn(CO)(3) or [C5R5Mn(CO)(2)(NO)]BF4 (R = H CH3) with PPh(2)Bz led to isoelectronic benzyldiphenylphosphine complexes of half sandwich type C6H6Cr(CO)(2)PPh(2)Bz (1), C5H5Mn(CO)(2)PPh(2)Bz (2), [C5H5Mn(CO)(NO)(PPh(2)Bz)]BF4 (3a) and [C5Me5Mn(CO)(NO)(PPh(2)Bz)] BF4 (3b). In contrast to the neutral compounds 1 and 2, the phosphonium salts 3a, 3b can be deprotonated at the alpha-methylene group by bases such as DBU and LDA to give the neutral manganiodiphenylalkylidenephosphoranes C5R5Mn(CO)(NO)(PPh2=CHPh) (4a, 4b). H-1-, C-13-, P-31{H-1}-NMR, IR and mass spectra of 1-4 are given. Crystals of 1 are orthorhombic, space group Pbca, with a = 19.960(3), b = 16.599(3) and c = 14.573(3) Angstrom, Z = 8 and R = 0.0521 for 2433 observed reflections. Crystals of 2 and 3a are monoclinic, space group P21/c, with a = 9.730(3), b = 23.123(6) and c = 9.784(3) Angstrom, Z = 4 and R = 0.0430 for 2512 observed reflections for 2, and a = 12.457(3), b = 10.597(3) and c = 18.764(5) Angstrom, Z = 4 and R = 0.0477 for 2765 observed reflections for 3a. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(97)05873-8