fac-Mn(CO)3(chloro)(1,2-bis(diphenylphosphino)ethane) | 49695-20-7

• 英文名称: fac-Mn(CO)3(chloro)(1,2-bis(diphenylphosphino)ethane)
• 英文别名: fac-MnCl(CO)3(1,2-bis(diphenylphosphino)ethane)；fac-manganese(I)(carbonyl)3(dpe)Cl；[(CO)3Mn(I)(1,2-bis(diphenylphosphino)ethane)(Cl)]
• CAS: 49695-20-7
• 化学式: C₂₉H₂₄ClMnO₃P₂
• 分子量: 572.846
• InChiKey: QMYGHVNHDTVNKV-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：

  fac-Mn(CO)3(chloro)(1,2-bis(diphenylphosphino)ethane) 、 silver tetrafluoroborate 以 氯仿 为溶剂， 生成 [Mn(CO)4(1,2-bis(diphenylphosphino)ethane)](BF4) 、 fac-[Mn(CO)3(H2O)(1,2-bis(diphenylphosphino)ethane)](BF4)*water
  参考文献：
  名称：

  The preparation and reactions of the azides of fac-Mn(CO)3(P-P)N3. The X-ray crystal structures of fac-[Mn(CO)3(P-P)(OH2)]BF4, fac-Mn(CO)3(P-P)() [(P-P)=dppe and depe], and fac-[Mn(CO)3(depe)(PPh3)]BF4

  摘要：

  A simple three-step, high-yield synthesis of the titled azides from Mn-2(CO)(10) and P-P is described involving the intermediate aqua complexes, fac-[Mn(CO)(3)(P-P)(H2O)]BF4, 3a,b. The aqua ligand is very labile; it is easily exchanged for D2O, PPh3, and NO2-. Crystal structures of the two titled aqua complexes and fac-[Mn(CO)(3)(depe)(PPh3)]BF4, 6a, are reported. The aqua complexes react instantaneously with aqueous NaN3 to give quantitative yields of the corresponding covalent azides which undergo the expected 1,3-dipolar additions with CF3CN to give the corresponding tetrazoles whose crystal structures are also reported. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00161-8
• 作为产物：
  描述：

  [Mn(CO)4(1,2-bis(diphenylphosphino)ethane)]Cl 以 neat (no solvent) 为溶剂， 生成 fac-Mn(CO)3(chloro)(1,2-bis(diphenylphosphino)ethane)
  参考文献：
  名称：

  Conversion of a manganese-carbon-bonded complex to a manganese-oxygen-bonded complex, some reactions of manganese carbonato complexes

  摘要：

  Stirring a solution of the manganese carboxylate, (dppe)(CO)(3)Mn-C(O)OCH3, 1, in dichloromethane saturated with water converts it to the bridging carbonato complex, (dppe)(CO)(3)Mn-OC(O)O-Mn(CO)(3)(dppe), 2. This multi-step con vers ion involves the in-situ transformation of a Mn-C bonded complex to a Mn-O bonded one. When 2 is stirred with HCl, it is converted quantitatively to the covalent chloride (dppe)(CO)(3)Mn-Cl, 11, with evolution of carbon dioxide. Similar HCl treatment of the manganese carboxylate 1 gives three compounds: the same covalent chloride, 11; the ionic chloride, [(dppe)(CO)(4)Mn]Cl-+(-), 12, and the hydride, (dppe)(CO)(3)Mn-H, 5. Reasonable schemes for these conversions are suggested. Heating the ionic chloride complex to its melting point converts it to the covalent chloride complex; the same transformation is accomplished by refluxing the ionic chloride in acetonitrile. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00486-5

文献信息

• One-pot synthesis of fac-[Mn(CO)3(PP)Cl] from Mn2(CO)10, [PP] and chlorinated solvents: [PP] = 1,2-bis(diethylphosphino)ethane (depe), 1,2-bis(diphenylphosphino)ethane (dppe) or 1,3-bis(diphenylphosphino)propane (dppp). The X-ray crystal structure of fac-[Mn(CO)3(depe)Cl]
  作者：Guang Qing Li、Julian Feldman、Jeanette A. Krause、Milton Orchin

  DOI：10.1016/s0277-5387(96)00523-2

  日期：1997.4

  Abstract In a one-pot reaction, the three titled manganese chloride complexes were prepared by refluxing Mn2(CO)10 with (PP) in 2-chloroethanol for two hours. The new compounds were characterized by IR, 1H NMR, mass spectra and microanalyses. The X-ray crystal structure of fac-Mn(CO)3(depe)Cl is also reported.

  摘要在一锅法反应中，将Mn2（CO）10与（PP）在2-氯乙醇中回流2小时，制得了三种标题的氯化锰配合物。通过IR，1H NMR，质谱和显微分析对这些新化合物进行了表征。还报道了fac-Mn（CO）3（depe）Cl的X射线晶体结构。
• A novel dimanganese complex linked by an unusually strong hydrogen bond. X-ray structure of the hydrogen-bonded complex and ab initio calculations
  作者：Thomas M Becker、Jeanette A.Krause Bauer、Janet E.Del Bene、Milton Orchin

  DOI：10.1016/s0022-328x(01)00829-4

  日期：2001.6

  3, are held together by an unusually strong O–H⋯F hydrogen bond (O⋯F=2.458(3) Å, H⋯F=1.52 Å) between the aqua ligand on one manganese and the fluoro atom on the other manganese. Using as a simple model the interaction between +Li(H2O) and FLi, the hydrogen bonding distance O–H⋯F was calculated to be; O⋯F=2.443 Å. Authentic 3 was prepared in a homogeneous system using CH2Cl2-soluble [Et4N]F.

  试图通过处理水络合物[（CO）3（dppe）Mn（OH 2）] BF 4（1）的CH 2 Cl 2溶液来制备氟络合物（CO）3（dppe）MnF（3）用NaF （aq）代替，我们分离出二锰配合物[（CO）3（dppe）Mn（OH 2）⋯FMn（dppe）（CO）3 ] BF 4（2）。两个部分1和3通过一个锰上的水配体与另一个锰上的氟原子之间的异常强的O–H⋯F氢键（O⋯F = 2.458（3）Å，H⋯F = 1.52Å）结合在一起。用一个简单的模型+ Li（H 2 O）和FLi之间的相互作用，计算出氢键距离O–H⋯F为：O⋯F ＝ 2.443埃。使用可溶于CH 2 Cl 2的[Et 4 N] F在均质系统中制备Authentic 3。
• Reactions of ditertiary phosphines with η6-arenetricarbonylmanganese cations
  作者：David A. Brown、W.Kenneth Glass、Khaled M. Kreddan、Desmond Cunningham、Patrick A. McArdle、Tim Higgins

  DOI：10.1016/0022-328x(91)86349-u

  日期：1991.10

  Ditertiaryphosphines PPh2(CH2)nPPh2 (n = 1-3) react at room temperature with the eta-6-arenetricarbonylmanganese cations [(eta-6-XYC6H4)Mn(CO)3]+ (Ia, X = Y = H; Ib, X = Me, Y = H) by monocarbonyl substitution and formation of [(eta-6-XYC6H4)Mn(CO)2(eta-1-PPh2(CH2)nPPh2)]+. Prolonged refluxing results in metal-ring bond breaking and formation of cis- and trans-[Mn(CO)2(eta-2-PPh2CH2PPh2)2]+ and trans-[Mn(CO)2(eta-2-PPh2(CH2)2PPh2)2]+.Activation of a carbonyl group in [(eta-6-XYC6H4Mn(CO),(eta-1-PPh2(CH2)nPPh2)]+ by TMNO gives the series of chelate complexes [(eta-6-XYC6H4Mn(CO)(eta-2-PPh2(CH2)nPPh2)]+ (n = 1-3). The X-ray structure of the chelate with n = 3 is reported. In the case of [(eta-6-XYC6H4)Mn(CO)3]+ (Ic, X = Cl, Y = H); Id, X = Cl, Y = Me), formation of fac-Mn(CO)3(eta-2-PPh2(CH2)nPPh2)Cl (n = 1, 2) occurs, in a reaction analogous to that with monophosphines, see D.A. Brown, W.K. Glass and K.M. Kreddan, J. Organomet. Chem., 413 (1991) 233, but there was no evidence for ring adducts as intermediates.
• Mandal, Santosh K.; Ho, Douglas M.; Orchin, Milton, Inorganic Chemistry, 1991, vol. 30, # 9, p. 2244 - 2248
  作者：Mandal, Santosh K.、Ho, Douglas M.、Orchin, Milton

  DOI：——

  日期：——
• Goldman, Alan S.; Tyler, David R., Inorganic Chemistry, 1987, vol. 26, # 2, p. 253 - 258
  作者：Goldman, Alan S.、Tyler, David R.

  DOI：——

  日期：——