| 148483-18-5

• CAS: 148483-18-5；148556-28-9
• 化学式: C₃₈H₃₄BrMnO₃P₂S
• 分子量: 767.542
• InChiKey: GURXTEISYIJOAR-UHFFFAOYSA-M

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：

  以 丙酮 为溶剂， 以0%的产率得到
  参考文献：
  名称：

  Study of the effects on coordination of thioether sites. 1. Complexation study of bromopentacarbonylmanganese(I) with tripodal P3-nSn (n = 0-3) ligands

  摘要：

  Manganese(I) complexes fac-(eta2-P3-nSn)Mn(CO)3Br (n = 0-3) [P3 W = Z = PPh2; P2S W = PPh2, Z = SPh; PS2 Z = SPh, W = PPh2; S3 W = Z = SPh in CH3C(CH2W)2(CH2Z)] formed from the corresponding tripodal ligand have been prepared and isolated as pairs of isomers. The reaction Of P2S with BrMn(CO)5 in chloroform produced a pair of stereoisomers, syn-fac-(P,P'-P2S)Mn(CO)3Br (1a) and anti-fac-(PP'-P2S)Mn(CO)3Br (1b), which were separated and fully characterized. Equilibration (K1 = 2/3) between la and lb was established. For PS2, the equilibrium constant (K2) between syn-fac-(P,S-PS2)Mn(CO)3Br (2a) and anti-fac-(P,S-PS2)Mn(CO)3Br (2b) was unity. Kinetic studies of isomerization of la to lb and 2a to 2b were carried out by using an NMR spectrometer. The activation parameters were obtained: DELTAH(double dagger)1a = 30.5 +/- 0.4 kcal/mol, DELTAS(double dagger) = 11 +/- 1 eu for complex la; DELTAH(double dagger)2a = 24.9 +/- 0.7 kCal/MOI, AS*2a = 7 +/- 2 eu for complex 2a. A mechanistic pathway for these isomerizations is proposed. Crystal structures were determined for three complexes: 1a, 1b, and 2a. X-ray data were collected on a CAD-4 diffractometer at room temperature and were refined by a least-squares treatment. For 1a: a = 10.669(2) angstrom, b = 17.864(3) angstrom, c = 18.841(12) angstrom, beta = 105.30(2)-degrees, monoclinic, Z = 4, P2(1)/c, R(F(o)) = 0.051, R(w)(F(o)) = 0.042 for 3043 reflections with I(o)) > 2sigma(I(o)). For 2b: a = 10.855(3) angstrom, b = 20.322(7) angstrom, c = 17.887(9) angstrom, beta = 104.73(3)-degrees, monoclinic, Z = 4, P2(1)/,=n, R(F(o)) = 0.059, R(w)(F(o)) = 0.047 for 3316 reflections with I(o) > 2sigma(I(o)). For 2a: a = 8.670(5) angstrom, b = 9.539(3) angstrom, c = 18.921(9) angstrom, a = 93.09(3)-degrees, beta = 90.27(5)-degrees, gamma = 101.21(4)-degrees, triclinic, Z = 2, P1BAR, R(F(o) = 0.052, R(w)(F(o)) = 0.054 for 2513 reflections with I(o) > 2sigma(I(o)). The conformations of the chelate rings are discussed.

  DOI：

  10.1021/om00030a043
• 作为产物：
  描述：

  四丁基溴化铵 、 tricarbonyl-[fac-[(2,2-bis(diphenylphosphanyl)methyl)-1-(phenylthio)propane]-P,P',S-]manganese(I) hexafluorophosphate 以 二氯甲烷-D2 为溶剂， 生成
  参考文献：
  名称：

  Tsai, Shiou-chuan; Wang, Hsin-Ell; Huang, Chi-Tsuan, Chemische Berichte, 1995, vol. 128, # 2, p. 151 - 156

  摘要：

  DOI：