[Mo(CO)4(6-(diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane)] | 909292-04-2

• 英文名称: [Mo(CO)4(6-(diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane)]
• CAS: 909292-04-2
• 化学式: C₂₂H₂₁MoN₃O₄P₂
• 分子量: 549.314
• InChiKey: YMTQUFHKCGEWBJ-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  cis-tetracarbonylbis(piperidine)molybdenum 、 6-(diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane 以 二氯甲烷 为溶剂， 以11%的产率得到[Mo(CO)4(6-(diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane)]
  参考文献：
  名称：

  Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine:  6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh₂)

  摘要：

  The upper rim of 1,3,5-triaza-7-phosphaadamantane (PTA) has been modified for the first time. Lithiation of PTA, with n-butyllithium, resulted in deprotonation of an R-phosphorus methylene and the formation of 1,3,5-triaza-7-phosphaadamantane-6-yllithium (PTA-Li). The chiral chelating phosphine 6-(diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2) was synthesized, in racemic form, by the reaction of PTA-Li with ClPPh2. PTAPPh(2) has been fully characterized in solution by multinuclear NMR spectroscopy and mass spectrometry and in the solid state by X-ray crystallography. The P-31 NMR spectrum contains a pair of doublets at -19.8 and -100.1 ppm (d, (2)J(PP) = 65 Hz). Unlike PTA, the new bidentate phosphine, PTA-PPh2, is insoluble in aqueous solutions. Two group 6 metal carbonyl complexes, [M(CO)(4)(PTA-PPh2)] (M = W and Mo), were synthesized by the addition of PTA-PPh2 to cis-[M(CO)(4)(pip)(2)] and characterized by NMR spectroscopy, IR spectroscopy, and X-ray crystallography. Also reported are the solid-state structures of cis-[W(CO)(4)PTA(2)], cis-[W(CO)(4)(PTA)(PPh3)], and [W(CO)(4)DPPM] (DPPM = diphenylphosphinomethane). PTA-PPh2 appears to be sterically similar to and slightly more electron-donating than DPPM.

  DOI：

  10.1021/ic060576a