4-(diethoxyphosphoryl)-4-nitropentanoic acid 4-tertbutylphenyl ester | 1528740-26-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-(diethoxyphosphoryl)-4-nitropentanoic acid 4-tertbutylphenyl ester
• CAS: 1528740-26-2
• 化学式: C₁₉H₃₀NO₇P
• 分子量: 415.423
• InChiKey: HKTDIXIZVHHWKF-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.93
• 重原子数：
  28.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  104.97
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  acrylic acid 4-tert-butylphenyl ester 、 diethyl 1-(1-nitroethyl)-phosphonate 在 3-(benzylamino)-4-(((1S)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione 作用下， 以 甲苯 为溶剂， 反应 72.0h， 生成 4-(diethoxyphosphoryl)-4-nitropentanoic acid 4-tertbutylphenyl ester 、 4-(diethoxyphosphoryl)-4-nitropentanoic acid 4-tertbutylphenyl ester
  参考文献：
  名称：

  Cinchona based squaramide catalysed enantioselective Michael addition of α-nitrophosphonates to aryl acrylates: enantioselective synthesis of quaternary α-aminophosphonates

  摘要：

  Several cinchona based squaramide catalysts were applied to the asymmetric Michael addition of alpha-nitroethylphosphonates to acrylic acid aryl esters, resulting in high yields and enantioselectivities. The absolute configuration of one of the quaternary alpha-nitrophosphonate adducts was deduced from its experimental and calculated CD spectra. The adducts were reduced to their cyclic aminophosphonates by catalytic hydrogenation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.10.008