cis-Re(CO)4(P(O-o-tol)3)I | 134770-94-8

• 英文名称: cis-Re(CO)4(P(O-o-tol)3)I
• CAS: 134770-94-8；142560-40-5
• 化学式: C₂₅H₂₁IO₇PRe
• 分子量: 777.523
• InChiKey: JMGXBELWDKQNLX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  cis-Re(CO)4(P(O-o-tol)3)I 、 异氰酸叔丁酯 在 palladium(II) oxide 作用下， 以 苯 为溶剂， 以28%的产率得到
  参考文献：
  名称：

  Isomers of Re(CO)3(CNtBu)LX: Synthetic strategies starting from MnRe(CO)8(CNtBu)L and Re(CO)4LX (X  halogen; L Group 15 donor ligand)

  摘要：

  Reaction of Re(CO)(4)LX (L = PMePh(2), PMe(2)Ph, PPh(3), P(OMe)(3), P((OPr)-Pr-i)(3), P(O-o-tol)(3); X = Br,I) with (t)BuNC in the presence of PdO catalyst gave the new complexes Re(CO)(3)(CN(t)Bu)LX in high yield(> 60%). The new complexes were shown by spectroscopic techniques (IR, H-1 and P-31 NMR) to comprise a mixture of mer and fac isomers. The mer/fac ratio decreased with reaction temperatures (e.g. L = P(OMe)(3); 10 degrees C, ratio = 3; 45 degrees C, ratio = 0.25). At high temperatures (90 degrees C) isomerization of the mer to the fac isomers (L = PMe(2)Ph, P(OMe)(3)) occurred, suggesting that the mer isomer was the kinetic product of the catalyzed reaction. Reactions induced by Me(3)NO gave similar effects. Halogen cleavage of MnRe(CO)(8)(CN(t)Bu)L, prepared from MnRe(CO)(9)(CN(t)Bu) and L in the presence of Me(3)NO, yielded either one or two isomers of Re(CO)3(CN(t)Bu)(L)X (X = I, Br; 40% yield). For large L (e.g. PPh(3)) a new mer isomer with L trans to X was synthesized, and characterized by IR and NMR spectroscopy. For small L (e.g. P(OMe)(3)) a mixture of the two different mer products was obtained. The product isomer ratio was determined predominantly by the position of L in the starting dimer.

  DOI：

  10.1016/0022-328x(94)87272-4
• 作为产物：
  描述：

  trans-Re(CO)4(P(O-o-tol)3)I 以 1,2,5-trimethyl-benzene 为溶剂， 生成 cis-Re(CO)4(P(O-o-tol)3)I
  参考文献：
  名称：

  Ingham, Wayne L.; Coville, Nell J., Organometallics, 1992, vol. 11, # 7, p. 2551 - 2558

  摘要：

  DOI：

文献信息

• The PdO catalysed reaction between Re(CO)5X (X  Cl, Br, I) and L (L  Group 15 donor ligand). Synthesis of Re(CO)4LX
  作者：Ann E. Leins、Neil J. Coville

  DOI：10.1016/0022-328x(91)86314-g

  日期：1991.4

  Previously there has been no high yielding synthesis of Re(CO)4LX (L = Group 15 donor ligand, X = Cl, Br, I). We here show that the PdO-catalysed reaction between Re(CO)5X and L gives Re(CO)4LX in > 75% yield when L has a cone angle less than 150-degrees. The new complexes have been fully characterised by IR and H-1 NMR spectrscopy.