3-nitro-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid | 212118-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 3-nitro-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
• 英文别名: 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-nitrobenzoic acid；3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-nitrobenzoic acid
• CAS: 212118-80-4
• 化学式: C₂₂H₁₆N₂O₆
• 分子量: 404.379
• InChiKey: KTGPLIBFJZWMLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-nitro-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.67h， 生成 (S)-2-[3-[(Adamantane-1-carbonyl)-amino]-5-(2,6-dichloro-benzoylamino)-benzoylamino]-3-phenyl-propionic acid methyl ester
  参考文献：
  名称：

  Combinatorial libraries based on a novel and readily accessible “centroid” scaffold

  摘要：

  A convenient large-scale preparation of the trifunctional acid 1 has been developed. This acid serves as a useful scaffold for construction of combinatorial libraries incorporating three variable elements in a centro-symmetric array. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01076-4
• 作为产物：
  描述：

  3-氨基-5-硝基苯甲酸 、 氯甲酸-9-芴基甲酯 在 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以77%的产率得到3-nitro-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
  参考文献：
  名称：

  Combinatorial libraries based on a novel and readily accessible “centroid” scaffold

  摘要：

  A convenient large-scale preparation of the trifunctional acid 1 has been developed. This acid serves as a useful scaffold for construction of combinatorial libraries incorporating three variable elements in a centro-symmetric array. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01076-4

文献信息

• DNA cleavage by aromatic amines
  作者：Philip M. Warner、Jiwei Qi、Bin Meng、Gang Li、Longfei Xie、Ahmed El-Shafey、Graham B. Jones

  DOI：10.1016/s0960-894x(01)00688-6

  日期：2002.1

  A series of aryl amines was found to induce cleavage of DNA. Subsequent refinement led to an efficient family of dimeric derivatives capable of cleavage at low concentration. Initial investigations suggest this is an unprecedented mode of DNA cleavage, which may be ultimately applied to the development of sequence-specific agents. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Microwave-Assisted Synthesis of Aryl Amide Bonds on Solid Phase
  作者：Philip A. Helliwell、Ruth E. Fake、Kevin G. Kerr、Barbara Santry、Austen Speakman、Anne Routledge

  DOI：10.1080/00397910903370618

  日期：2010.9.20

  A novel microwave-assisted synthesis of a library of triarylamides has been undertaken on the solid-phase.