methyltriphosphonium hydrogencarbonate

• 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: methyltriphosphonium hydrogencarbonate
• 英文别名: Hydrogen carbonate;methyl(triphenyl)phosphanium
• 化学式: CHO₃*C₁₉H₁₈P
• 分子量: 338.343
• InChiKey: KAXIMAOOUGZFKV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (三苯基膦烯)乙烯酮 在 水 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以73%的产率得到methyltriphosphonium hydrogencarbonate
  参考文献：
  名称：

  Reaction of ketenylidenetriphenylphosphorane, Ph3PCCO, with water: formation of methyltriphenylphosphonium hydrogencarbonate

  摘要：

  The reaction of the oxocumulene ylide ketenylidenetriphenylphosphorane, Ph,PC=C=O (1), with an excess of water in THF yields a white microcrystalline solid, methyltriphenylphosphonium hydrogencarbonate, which contains one molecule of crystallization water, [Ph3MeP](CO3HH2O)-H-. (2). Compound 2 was characterized by IR, multinuclear NMR and ESI mass spectra. The chemical constitution was confirmed by X-ray crystal analysis. On heating, compound 2 decomposes giving CO2, H2O, C6H6 and Ph(2)MepO. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01199-8

文献信息

• US4266079A
  申请人：——

  公开号：US4266079A

  公开（公告）日：1981-05-05
• US4284573A
  申请人：——

  公开号：US4284573A

  公开（公告）日：1981-08-18
• US4354015A
  申请人：——

  公开号：US4354015A

  公开（公告）日：1982-10-12
• US4405766A
  申请人：——

  公开号：US4405766A

  公开（公告）日：1983-09-20
• Reaction of ketenylidenetriphenylphosphorane, Ph3PCCO, with water: formation of methyltriphenylphosphonium hydrogencarbonate
  作者：Franco Benetollo、Roberta Bertani、Paolo Ganis、Giuseppe Pace、Luciano Pandolfo、Livio Zanotto

  DOI：10.1016/s0022-328x(01)01199-8

  日期：2002.1

  The reaction of the oxocumulene ylide ketenylidenetriphenylphosphorane, Ph,PC=C=O (1), with an excess of water in THF yields a white microcrystalline solid, methyltriphenylphosphonium hydrogencarbonate, which contains one molecule of crystallization water, [Ph3MeP](CO3HH2O)-H-. (2). Compound 2 was characterized by IR, multinuclear NMR and ESI mass spectra. The chemical constitution was confirmed by X-ray crystal analysis. On heating, compound 2 decomposes giving CO2, H2O, C6H6 and Ph(2)MepO. (C) 2002 Elsevier Science B.V. All rights reserved.