1-(4-diethoxyphosphorylphenyl)-3-[(1R,2R)-2-[(4-diethoxyphosphorylphenyl)carbamoylamino]cyclohexyl]urea | 242804-94-0

• 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: 1-(4-diethoxyphosphorylphenyl)-3-[(1R,2R)-2-[(4-diethoxyphosphorylphenyl)carbamoylamino]cyclohexyl]urea
• CAS: 242804-94-0
• 化学式: C₂₈H₄₂N₄O₈P₂
• 分子量: 624.611
• InChiKey: HTBTWKCABOVWEO-CLJLJLNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  42
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  153
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(4-diethoxyphosphorylphenyl)-3-[(1R,2R)-2-[(4-diethoxyphosphorylphenyl)carbamoylamino]cyclohexyl]urea 在 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 42.0h， 生成 [4-[[(1R,2R)-2-[(4-phosphonophenyl)carbamoylamino]cyclohexyl]carbamoylamino]phenyl]phosphonic acid
  参考文献：
  名称：

  New Water-Soluble Diamine Complexes as Catalysts for the Hydrogenation of Ketones Under Hydrogen Pressure

  摘要：

  New water-soluble rhodium and iridium complexes of 2,2'-bipyridines, functionalized with PO3Na2 groups, show very good catalytic activities in the reduction of various substituted acetophenones under hydrogen pressure in basic aqueous media. No significant loss of catalyst activity is observed after one use.

  DOI：

  10.1002/(sici)1099-0690(199907)1999:7<1745::aid-ejoc1745>3.0.co;2-b
• 作为产物：
  描述：

  (4-硝基-苯基)-磷酸二乙酯 在 palladium on activated charcoal 甲酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 1-(4-diethoxyphosphorylphenyl)-3-[(1R,2R)-2-[(4-diethoxyphosphorylphenyl)carbamoylamino]cyclohexyl]urea
  参考文献：
  名称：

  New Water-Soluble Diamine Complexes as Catalysts for the Hydrogenation of Ketones Under Hydrogen Pressure

  摘要：

  New water-soluble rhodium and iridium complexes of 2,2'-bipyridines, functionalized with PO3Na2 groups, show very good catalytic activities in the reduction of various substituted acetophenones under hydrogen pressure in basic aqueous media. No significant loss of catalyst activity is observed after one use.

  DOI：

  10.1002/(sici)1099-0690(199907)1999:7<1745::aid-ejoc1745>3.0.co;2-b

文献信息

• New Water-Soluble Diamine Complexes as Catalysts for the Hydrogenation of Ketones Under Hydrogen Pressure
  作者：Virginie Pénicaud、Céline Maillet、Pascal Janvier、Muriel Pipelier、Bruno Bujoli

  DOI：10.1002/(sici)1099-0690(199907)1999:7<1745::aid-ejoc1745>3.0.co;2-b

  日期：1999.7

  New water-soluble rhodium and iridium complexes of 2,2'-bipyridines, functionalized with PO3Na2 groups, show very good catalytic activities in the reduction of various substituted acetophenones under hydrogen pressure in basic aqueous media. No significant loss of catalyst activity is observed after one use.