fac,boat-Re(CO)3(η2-1,1,1-tris(diphenylphosphino)ethane)Cl | 309718-35-2

• 英文名称: fac,boat-Re(CO)3(η2-1,1,1-tris(diphenylphosphino)ethane)Cl
• CAS: 309718-35-2；106373-93-7；309717-83-7
• 化学式: C₄₄H₃₉ClO₃P₃Re
• 分子量: 930.373
• InChiKey: YYCJDWWMFXVTFX-UHFFFAOYSA-M

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：

  fac,boat-Re(CO)3(η2-1,1,1-tris(diphenylphosphino)ethane)Cl 以 甲苯 为溶剂， 生成 Carbon monoxide;chlororhenium;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
  参考文献：
  名称：

  的合成与椅子的表征和驳船形式˚F交流-Re（CO）3（P 3）（X）[P 3 =η 2 -CH 3 C（CH 2 PPH 2）3，X为Br，cl]

  摘要：

  具有通式配合物的合成FAC -Re（CO）3（η 2 ; -triphos）X（=三磷酸1,1,1-三（二苯基膦）乙烷1和2中，X = Br的; 5和6，X描述了来自Re（CO）5 X和三光子反应的C1 = Cl）。的X射线结构1示出了六元环metallacyclic（REP 2 ç 3）采用了椅式构象已知的复杂5，而对于结构数据2和6表示金属环的船形。这是这些复合物的船型的首次鉴定。化合物1和2中的膦侧基可以被氧化，分别生成化合物3和4。的X射线结构4保留其前体的船式和的性质3是不同的，这表明环构象这里也保留。热分解反应5和6进行了探测在易于脱羰和转换的已知差异η 3配位的配合物，7。船群6更容易地转换为7 ; 没有证据表明有6到5的任何热转化。

  DOI：

  10.1021/om001018l
• 作为产物：
  描述：

  十羰基二铼 、 1,1,1-三(二苯基膦甲基)乙烷 以 二氯甲烷 为溶剂， 生成 fac,boat-Re(CO)3(η2-1,1,1-tris(diphenylphosphino)ethane)Cl
  参考文献：
  名称：

  Lin, S. C.; Cheng, Cheu Pyeng; Lee, Tseng-Yuh, Acta Crystallographica, Section C: Crystal Structure Communications, 1986, vol. 42, p. 1733 - 1736

  摘要：

  DOI：

文献信息

• Reactions of M(CO)₅X (M = Mn, Re; X = Cl, Br) with {Ph₂PCH₂}₃CCH₃ (P₃) and {Ph₂P(CH₂)₂}₃P (P₃P‘):  Synthetic, Spectroscopic, Electrochemical, and Electrospray Mass Spectrometric Studies
  作者：Alan M. Bond、Ray Colton、Adrian van den Bergen、Jacky N. Walter

  DOI：10.1021/ic0000294

  日期：2000.10.1

  The reactions of M(CO)(5)X (M = Mn, Re: X = Cl, Br) with Ph2PCH2}(3)CCH3 (P-3) and Ph2P(CH2)(2)}(3)P (P3P') are investigated, and the products are characterized by IR, NMR (P-31 and C-13), and electrospray mass spectrometric (ESMS) techniques. With P-3, the major products are fac-M(CO)(3)(eta (2)-P-3)X (syn and anti isomers) and ci,fac-M(CO)(2)(eta (3)-P-3)X, and with P3P', the major product for each metal is cis,mer-M(CO)(2)(eta (3)-P3P')X, but cis-[M(CO)(2)(eta (4)-P3P')]X and fac-[Re(CO)(3)(eta (3)-P3P')]X are also characterized. Addition of Mel to those complexes containing pendant phosphine groups produces the corresponding phosphonium cations without affecting the remainder of the molecule. On the voltammetric time scale, electrochemical oxidation of cis,fac-Mn(CO)(2)(eta (3)-P-3)X yields the corresponding 17e cation cis,fac-[Mn(CO)(2)(eta (3)-P-3)X](+), but on the longer time scale of exhaustive electrolysis or chemical oxidation, the product is fac-[Mn(CO)(3)(eta (3)-P-3)](+). In contrast, the rhenium cation; cis;fac-[Re(CO)(2)(eta (3)-P-3)X](+) is stable on the synthetic time scale, but upon oxidation of cis,fac-Re(CO)(2)(eta (3)-P-3)X With NOBF4, he final product is the 18e [Re(CO)(NO)(eta (3)-P-3)X](+). cis,mer-Mn(CO)(2)(eta (3)-P3P')X is reversibly oxidized to cis,mer-[Mn(CO)(2)(eta (3)-P3P')X](+) on the voltammetric time scale, but on the longer synthetic time scale, the product isomerizes to trans-[Mn(CO)(2)(eta (3)-P3P')X](+), which can be reduced to trans-Mn(CO)(2)(eta (3)-P3P')X. Upon voltammetric oxidation, the corresponding rhenium complexes show an initial irreversible response associated with the pendant phosphine group prior to the reversible oxidation of the metal on the synthetic time scale; spectroscopic data indicate formation of cis,mer-Re(CO)(2)(eta (3)-P3P'O)X. The complex cis,mer-[Re(CO)(2)(eta (3)-P3P'Me)X](+) shows only the reversible metal oxidation response. ESMS data are obtained directly for the methylated cationic complexes, and neutral complexes are either oxidized or adducted with sodium ions to produce cationic species.
• Liu, Ling-Kang; Lin, S. C.; Cheng, Cheu Pyeng, Acta Crystallographica, Section C: Crystal Structure Communications, 1988, vol. 44, p. 1402 - 1404
  作者：Liu, Ling-Kang、Lin, S. C.、Cheng, Cheu Pyeng

  DOI：——

  日期：——