4-(2-{((S)-4-benzyloxycarbonyl-4-pyrrol-1-yl-butyryl)-[2-((S)-4-benzyloxycarbonyl-4-pyrrol-1-yl-butyrylamino)-ethyl]-amino}-ethylcarbamoyl)-(S)-2-pyrrol-1-yl-butyric acid benzyl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(2-{((S)-4-benzyloxycarbonyl-4-pyrrol-1-yl-butyryl)-[2-((S)-4-benzyloxycarbonyl-4-pyrrol-1-yl-butyrylamino)-ethyl]-amino}-ethylcarbamoyl)-(S)-2-pyrrol-1-yl-butyric acid benzyl ester
• 英文别名: benzyl (2S)-5-oxo-5-[2-[[(4S)-5-oxo-5-phenylmethoxy-4-pyrrol-1-ylpentanoyl]-[2-[[(4S)-5-oxo-5-phenylmethoxy-4-pyrrol-1-ylpentanoyl]amino]ethyl]amino]ethylamino]-2-pyrrol-1-ylpentanoate
• 化学式: C₅₂H₅₈N₆O₉
• 分子量: 911.067
• InChiKey: WYNDIEUJZWZVGH-LCALOIESSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  67
• 可旋转键数：
  30
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  172
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-(2-{((S)-4-benzyloxycarbonyl-4-pyrrol-1-yl-butyryl)-[2-((S)-4-benzyloxycarbonyl-4-pyrrol-1-yl-butyrylamino)-ethyl]-amino}-ethylcarbamoyl)-(S)-2-pyrrol-1-yl-butyric acid benzyl ester 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以77%的产率得到4-(2-{((S)-4-carboxy-4-pyrrol-1-yl-butyryl)-[2-((S)-4-carboxy-4-pyrrol-1-yl-butyrylamino)-ethyl]-amino}-ethylcarbamoyl)-(S)-2-pyrrol-1-yl-butyric acid
  参考文献：
  名称：

  Novel Carboxylated Pyrrole- and Carbazole-Based Monomers. Synthesis and Electro-Oxidation Features

  摘要：

  Carboxylated pyrrole ( Pyr, a index)- and carbazole ( Cbz, b index)- containing monomers 6-7a/b and 9a/b have been readily synthesized from the monobenzyl ester of L-glutamic acid and triamine 2 using Clauson-Kaas and amide coupling reactions. In contrast to Pyr-containing compounds 6-7a, and 9a, the three Cbz-containing monomers 6-7b, and 9b have been found electroactive and were successfully electropolymerized on a Pt electrode resulting in the deposition of corresponding insoluble electroconducting polyCOOH polyCbz-films poly( 6-7b) and poly( 9b).

  DOI：

  10.1021/jo061531u
• 作为产物：
  描述：

  (S)-2-pyrrol-1-yl-pentanedioic acid 1-benzyl ester 、 二乙烯三胺 在 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到4-(2-{((S)-4-benzyloxycarbonyl-4-pyrrol-1-yl-butyryl)-[2-((S)-4-benzyloxycarbonyl-4-pyrrol-1-yl-butyrylamino)-ethyl]-amino}-ethylcarbamoyl)-(S)-2-pyrrol-1-yl-butyric acid benzyl ester
  参考文献：
  名称：

  Novel Carboxylated Pyrrole- and Carbazole-Based Monomers. Synthesis and Electro-Oxidation Features

  摘要：

  Carboxylated pyrrole ( Pyr, a index)- and carbazole ( Cbz, b index)- containing monomers 6-7a/b and 9a/b have been readily synthesized from the monobenzyl ester of L-glutamic acid and triamine 2 using Clauson-Kaas and amide coupling reactions. In contrast to Pyr-containing compounds 6-7a, and 9a, the three Cbz-containing monomers 6-7b, and 9b have been found electroactive and were successfully electropolymerized on a Pt electrode resulting in the deposition of corresponding insoluble electroconducting polyCOOH polyCbz-films poly( 6-7b) and poly( 9b).

  DOI：

  10.1021/jo061531u

文献信息

• Novel Carboxylated Pyrrole- and Carbazole-Based Monomers. Synthesis and Electro-Oxidation Features
  作者：Senthil Govindaraji、Philippe Nakache、Vered Marks、Zvika Pomerantz、Arie Zaban、Jean-Paul Lellouche

  DOI：10.1021/jo061531u

  日期：2006.11.1

  Carboxylated pyrrole ( Pyr, a index)- and carbazole ( Cbz, b index)- containing monomers 6-7a/b and 9a/b have been readily synthesized from the monobenzyl ester of L-glutamic acid and triamine 2 using Clauson-Kaas and amide coupling reactions. In contrast to Pyr-containing compounds 6-7a, and 9a, the three Cbz-containing monomers 6-7b, and 9b have been found electroactive and were successfully electropolymerized on a Pt electrode resulting in the deposition of corresponding insoluble electroconducting polyCOOH polyCbz-films poly( 6-7b) and poly( 9b).