N-(2-dimethoxyboranyl-4-methoxyphenyl)-2,2-dimethylpropanamide | 1061596-71-1

• 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: N-(2-dimethoxyboranyl-4-methoxyphenyl)-2,2-dimethylpropanamide
• CAS: 1061596-71-1
• 化学式: C₁₄H₂₂BNO₄
• 分子量: 279.144
• InChiKey: SNPASLHDEZZBEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-dimethoxyboranyl-4-methoxyphenyl)-2,2-dimethylpropanamide 在 盐酸 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 生成 8-Methoxy-4-oxo-2,3-dihydro-1H-cyclopentachinolin
  参考文献：
  名称：

  Dihydroquinolines as Novel n-NOS Inhibitors

  摘要：

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00481-x
• 作为产物：
  描述：

  硼酸三甲酯 、 4-methoxy-N-pivaloylaniline 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 N-(2-dimethoxyboranyl-4-methoxyphenyl)-2,2-dimethylpropanamide
  参考文献：
  名称：

  Dihydroquinolines as Novel n-NOS Inhibitors

  摘要：

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00481-x

文献信息

• Dihydroquinolines as Novel n-NOS Inhibitors
  作者：Stefan Jaroch、Peter Hölscher、Hartmut Rehwinkel、Detlev Sülzle、Gerardine Burton、Margrit Hillmann、Fiona M. McDonald

  DOI：10.1016/s0960-894x(02)00481-x

  日期：2002.9

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.