adipic acid mono-4-bromoanilide | 906561-61-3

• 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: adipic acid mono-4-bromoanilide
• 英文别名: 6-(4-Bromoanilino)-6-oxohexanoic acid
• CAS: 906561-61-3
• 化学式: C₁₂H₁₄BrNO₃
• mdl: MFCD12427073
• 分子量: 300.152
• InChiKey: GWLUOGVXVQFPFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  adipic acid mono-4-bromoanilide 在 吡啶 、 草酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N'-(4-bromophenyl)-N-phenyl-hexanediamide
  参考文献：
  名称：

  Biaryl acids: Novel non-nucleoside inhibitors of HIV reverse transcriptase types 1 and 2

  摘要：

  A series of biaryl acids has been found to show micromolar inhibition of the HIV reverse transcriptase (RT) from types 1 and 2 with IC(50)s in the micromolar range. The series was discovered by consideration of the polymerase active site and sub-structure searching of the company compound collection. Synthesis of analogues to investigate the SAR is described. Two of these compounds have shown inhibition of HIV-2 RT only. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00214-5
• 作为产物：
  描述：

  甲基脂肪酰氯 在 吡啶 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 adipic acid mono-4-bromoanilide
  参考文献：
  名称：

  Biaryl acids: Novel non-nucleoside inhibitors of HIV reverse transcriptase types 1 and 2

  摘要：

  A series of biaryl acids has been found to show micromolar inhibition of the HIV reverse transcriptase (RT) from types 1 and 2 with IC(50)s in the micromolar range. The series was discovered by consideration of the polymerase active site and sub-structure searching of the company compound collection. Synthesis of analogues to investigate the SAR is described. Two of these compounds have shown inhibition of HIV-2 RT only. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00214-5

文献信息

• Skeletal Diversity by Ugi Four-Component Coupling Reaction and Post-Ugi Reactions
  作者：Masato Oikawa、Shinya Naito、Makoto Sasaki

  DOI：10.3987/com-07-s(u)8

  日期：——

  Here we report a strategy to alter the skeletal complexity of Ugi four-component coupling reaction products by using allylations followed by ring-closing metathesis. Principal component analysis is also performed for these compounds.