tricarbonyl[η-6-(diphenylphosphino)benzene]chromium(0) | 41583-00-0

• 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: tricarbonyl[η-6-(diphenylphosphino)benzene]chromium(0)
• 英文别名: [(η6-1-diphenylphosphinebenzene)tricarbonylchromium]；diphenylbenchrotrenylphosphine
• CAS: 41583-00-0
• 化学式: C₂₁H₁₅CrO₃P
• 分子量: 398.318
• InChiKey: RFQBNDPVNNERON-UHFFFAOYSA-N

计算性质

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

• 作为反应物：
  描述：

  tricarbonyl[η-6-(diphenylphosphino)benzene]chromium(0) 以 苯 为溶剂， 以60%的产率得到{(C₆H₅)2P(C₆H₅)Cr(CO)2}2
  参考文献：
  名称：

  Diphenylbenchrotrenylphosphine-含羰基的π-芳族铬和锰配合物以及vib族金属的羰基化合物中的一种新的双电子配体

  摘要：

  C 6 H 6 Cr（CO）3，C 5 H 5 Mn（CO）3和M（CO）6（M = Cr，Mo，W）中的CO配体对PPh 2 C 6 H 5 Cr（CO ）的光化学取代）3，使用配体合成新型配合物：C 6 H 6 Cr（CO）2 PPh 2 C 6 H 5 Cr（CO）3，C 5 H 5 Mn（CO）2 PPh 2 C 6 H 5 Cr（CO ）3和M（CO）5 PPh 2 C 6 H 5 Cr（CO）3。

  DOI：

  10.1016/0022-328x(86)82014-9
• 作为产物：
  描述：

  (η6-fluorobenzene)tricarbonylchromium 、 二苯基膦酸锂 在 HMTP 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到tricarbonyl[η-6-(diphenylphosphino)benzene]chromium(0)
  参考文献：
  名称：

  金属磷化物阴离子与亲电（芳烃）三羰基金属配合物的反应性

  摘要：

  金属磷化物阴离子 [(CO)xM'PPh2]- (M' = Cr, Fe) 与中性三羰基（η6-氟芳烃）铬和阳离子（η6-芳烃）三羰基锰配合物反应形成双核配合物。这些配合物是通过取代（芳烃）铬配合物中的氟阴离子，或通过添加到（芳烃）锰配合物中的环上而获得的。获得了一种均二金属 (Cr-Cr) 配合物的 X 射线结构，并与其溶液结构进行了比较。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200200531

文献信息

• The asymmetric synthesis of phosphorus- and sulfur-containing tricarbonyl(η6-arene)chromium complexes using the chiral base approach
  作者：Azhar Ariffin、Alexander J. Blake、Richard A. Ewin、Wan-Sheung Li、Nigel S. Simpkins

  DOI：10.1039/a905610f

  日期：——

  transformation of tricarbonyl[η6-(diphenylphosphinoyl)benzene]chromium(0) 12 into the corresponding ortho-silylated complex in up to 86% ee. A tin derivative was prepared similarly and was then used to prepare other derivatives via reduction to the corresponding phosphine, followed by transmetallation–electrophilic quench. In the case of tricarbonyl(η6-1,3-dihydroisobenzothiophene)chromium(0) the chiral

  使用简单的手性氨基化锂基体2的三羰基能够的不对称转变〔η 6 - （diphenylphosphinoyl）苯]铬（0）12成相应的邻-silylated在高达86％ee的复合物。锡衍生物的制备方法相似，然后通过还原为相应的膦，然后再进行金属转移-亲电淬灭，用于制备其他衍生物。在三羰基（η6 -1,3-二氢异苯并噻吩）铬（0）手性碱2无效，必须使用双锂酰胺碱9才能在高ee（最高达95％）中实现不对称取代。分解得到高度对映体富集形式的相应手性硫化物。在所有情况下，都是通过对选定的实例进行X射线结构测定得出产品的绝对立体化学。
• Synthesis of some phosphino- and arsinobenzenechromium tricarbonyl derivatives and metal carbonyl clusters
  作者：William R. Cullen、Steven J. Rettig、Hongli Zhang

  DOI：10.1139/v96-244

  日期：1996.11.1

  The synthesis of a number of new phosphino- and arsinobenzenechromium tricarbonyl ligands ER₂C₆H₅Cr(CO)₃ (ER₂ = PEt₂, PPrⁱ₂, PBu^t₂, PPh₂, AsPh₂ AsMe₂), ER[C₆H₅Cr(CO)₃]₂ (ER = PEt, PBu^t, PPh, AsPh) has been achieved by reacting lithium derivatives of benzenechromium tricarbonyl with appropriate chlorphosphines or iodoarsines. The spectroscopic properties of these ligands are described. The structure of Prⁱ₂PC₆H₅Cr(CO)₃ was determined by an X-ray crystallographic study. This is the first solid state structure to be reported for a phosphinobenzenechromium tricarbonyl derivative. The structures of four metal carbonyl cluster complexes were also determined. Crystals of Prⁱ₂PC₆H₅Cr(CO)₃ (3, C₁₅H₁₉CrO₃P) are monoclinic, space group P2₁/c, a = 8.150(2) Å, b = 13.490(2) Å, c = 15.125(1) Å, β = 100.19(1)°, Z = 4; those of Ru₃(CO)₁₁[PPrⁱ₂C₆H₅Cr(CO)3] (15, C₂₆H₁₉CrO₁₄PRu₃) are monoclinic, space group P2₁/n, a = 8.565(2) Å, b = 21.808(3) Å, c = 17.167(3) Å, β = 97.41(2)°, Z = 4; those of Ru₃(CO)₁₀[PPh₂C₆H₅Cr(CO)₃]₂ (19, C₃₂H₁₅CrO₁₄PRu₃) are orthorhombic, space group Pbca, a = 17.367(4) Å, b = 24.471(5) Å, c = 16.096(3) Å, Z = 8; those of Ru₃(CO)₁₀[PPrⁱ₂C₆H₅Cr(CO)₃]₂•CH₂Cl₂ (16, C₄₀H₃₈Cr₂O₁₆P₂Ru₃•CH₂Cl₂) are orthorhombic, space group P2₁2₁2, a = 13.832(3) Å, b = 17.558(2) Å, c = 10.144(1) Å, Z = 2; and those of Os₃(CO)₉[PEt₂C₆H₅Cr(CO)₃]₃ (26, C₄₈H₄₅Cr₃O₁₈Os₃P₃) are trigonal, space group [Formula: see text], a = 15.7558(4) Å, c = 12.662(1) Å, Z = 2. The structures were solved by the Patterson method and were refined by full-matrix least-squares procedures to R = 0.031,0.027, 0.029, 0.025, and 0.029 (R_w = 0.027, 0.024, 0.024, 0.023, and 0.025) for 2326, 4110, 3878, 3046, and 4093 reflections with I ≥ 3σ(I), respectively. Key words: metal carbonyl clusters, phosphinobenzenechromium tricarbonyl derivatives, arsinobenzenechromium tricarbonyl derivatives, crystal structures.

  一些新的膦基-和砷基苯基铬三羰基配体ER2C6H5Cr(CO)3 (ER2 = PEt2、PPri2、PBu-t2、PPh2、AsPh2、AsMe2) 以及ER[C6H5Cr(CO)3]2 (ER = PEt、PBu-t、PPh、AsPh)的合成已通过将苯基铬三羰基的锂衍生物与相应的氯膦或碘砷反应而实现。描述了这些配体的光谱性质。Pr i2PC6H5Cr(CO)3的结构通过X射线晶体学研究确定。这是首次报道的膦基苯基铬三羰基衍生物的固态结构。还确定了四种金属羰基簇配合物的结构。Pr i2PC6H5Cr(CO)3 (3，C15H19CrO3P) 的晶体是单斜晶系，空间群P21/c，a = 8.150(2) Å，b = 13.490(2) Å，c = 15.125(1) Å，β = 100.19(1)°，Z = 4；Ru3(CO)11[PPr i2C6H5Cr(CO)3] (15，C26H19CrO14PRu3) 的晶体是单斜晶系，空间群P21/n，a = 8.565(2) Å，b = 21.808(3) Å，c = 17.167(3) Å，β = 97.41(2)°，Z = 4；Ru3(CO)10[PPh2C6H5Cr(CO)3]2 (19，C32H15CrO14PRu3) 的晶体是正交晶系，空间群Pbca，a = 17.367(4) Å，b = 24.471(5) Å，c = 16.096(3) Å，Z = 8；Ru3(CO)10[PPr i2C6H5Cr(CO)3]2•CH2Cl2 (16，C40H38Cr2O16P2Ru3•CH2Cl2) 的晶体是正交晶系，空间群P212121，a = 13.832(3) Å，b = 17.558(2) Å，c = 10.144(1) Å，Z = 2；Os3(CO)9[PEt2C6H5Cr(CO)3]3 (26，C48H45Cr3O18Os3P3) 的晶体是三方晶系，空间群[Formula: see text]，a = 15.7558(4) Å，c = 12.662(1) Å，Z = 2。这些结构是通过Patterson方法解决的，并通过全矩阵最小二乘程序进行了精细的矫正，对于2326、4110、3878、3046和4093个反射，I≥3σ(I)的R值分别为0.031、0.027、0.029、0.025和0.029(Rw = 0.027、0.024、0.024、0.023和0.025)。关键词：金属羰基簇、膦基苯基铬三羰基衍生物、砷基苯基铬三羰基衍生物、晶体结构。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: Org.Verb., 1.1.2.1.5.2, page 66 - 70
  作者：

  DOI：——

  日期：——
• Synthesis of the new metalloligands [η6-(PPh2)xC6H6−x]Cr(CO)2(L) [x = 1,2; L = CO and PR3] and some rhodium(I) complexes
  作者：Michael E. Wright、Lance Lawson、R.Thomas Baker、D.Christopher Roe

  DOI：10.1016/s0277-5387(00)83176-9

  日期：1992.1

  Transmetallation of eta(6)-1,4-(Bun3Sn)2C6H4}Cr(CO)2(PBun3) with nBuLi followed by treatment with diphenylchlorophosphine afforded as the major product eta(6)-1,4-(PPh2)2C6H4}Cr(CO)2(PBun3) (4) and a minor amount of eta(6)-1-(SnBun3)-4-(PPh2)C6H4}Cr(CO)2(PBun3) (5). Treatment of eta(6)-1,4-(PPh2)2C6H4}Cr(CO)2(L) (9, L = CO; 4, L = PBun3) with [(CO)2RhCl]2 liberated carbon monoxide and gave the heterobimetallic coordination polymers [eta(6)-1,4-(PPh)2C6H4]Cr(CO)2L]Rh(CO)Cl}n (10a, L = CO; 10b, L = PBun3). Coordination of both PPh2 substituents to rhodium led to hindered rotation about the Cr-(eta(6)-arene) axis (DELTA-G double-ended dagger = 11.7 +/- 0.1 kcal mol-1 for 10b, estimated from the P-31 DNMR spectra). The transmetallation chemistry was also used to prepare eta(6)-(PPh2)C6H5}Cr(CO)2(L) (8a, L = CO; 8b, L = PPh3] in excellent yields.
• Werner, H.; Prinz, R., Chemische Berichte, 1966, vol. 99, p. 3582 - 3592
  作者：Werner, H.、Prinz, R.

  DOI：——

  日期：——