2-[Amino(phenyl)phosphoryl]oxy-1,3-di(propan-2-yl)benzene | 204336-13-0

• 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: 2-[Amino(phenyl)phosphoryl]oxy-1,3-di(propan-2-yl)benzene
• CAS: 204336-13-0
• 化学式: C₁₈H₂₄NO₂P
• 分子量: 317.368
• InChiKey: YDEIETZWFANAKZ-UHFFFAOYSA-N

物化性质

• 沸点：
  427.8±55.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4,6-triisopropylphenylacetyl chloride 、 2-[Amino(phenyl)phosphoryl]oxy-1,3-di(propan-2-yl)benzene 生成 N-[[2,6-di(propan-2-yl)phenoxy]-phenylphosphoryl]-2-[2,4,6-tri(propan-2-yl)phenyl]acetamide
  参考文献：
  名称：

  Inhibitors of Acyl-CoA:Cholesterol O-acyltransferase (ACAT) as hypocholesterolemic agents: Synthesis and structure-activity relationships of novel series of sulfonamides, acylphosphonamides and acylphosphoramidates

  摘要：

  Sulfoacetic acid, phosphoramidate, and phosphonamide analogs of the ACAT inhibitors, CI-999 and CI-1011 were synthesized. The structure-activity relationships of these compounds as ACAT inhibitors are described. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00011-0
• 作为产物：
  描述：

  苯膦酰二氯 在 ammonium hydroxide 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-[Amino(phenyl)phosphoryl]oxy-1,3-di(propan-2-yl)benzene
  参考文献：
  名称：

  Inhibitors of Acyl-CoA:Cholesterol O-acyltransferase (ACAT) as hypocholesterolemic agents: Synthesis and structure-activity relationships of novel series of sulfonamides, acylphosphonamides and acylphosphoramidates

  摘要：

  Sulfoacetic acid, phosphoramidate, and phosphonamide analogs of the ACAT inhibitors, CI-999 and CI-1011 were synthesized. The structure-activity relationships of these compounds as ACAT inhibitors are described. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00011-0

文献信息

• Inhibitors of Acyl-CoA:Cholesterol O-acyltransferase (ACAT) as hypocholesterolemic agents: Synthesis and structure-activity relationships of novel series of sulfonamides, acylphosphonamides and acylphosphoramidates
  作者：H.T Lee、W.H Roark、J.A Picard、D.R Sliskovic、B.D Roth、R.L Stanfield、K.L Hamelehle、R.F Bousley、B.R Krause

  DOI：10.1016/s0960-894x(98)00011-0

  日期：1998.2

  Sulfoacetic acid, phosphoramidate, and phosphonamide analogs of the ACAT inhibitors, CI-999 and CI-1011 were synthesized. The structure-activity relationships of these compounds as ACAT inhibitors are described. (C) 1998 Elsevier Science Ltd. All rights reserved.