N-<(3-bromo-benzylcarbamoyl)-methyl>-3-(6-bromo-3H-indol-3-yl)-propionamide | 210569-76-9

• 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: N-<(3-bromo-benzylcarbamoyl)-methyl>-3-(6-bromo-3H-indol-3-yl)-propionamide
• 英文别名: 3-(6-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide
• CAS: 210569-76-9
• 化学式: C₂₀H₁₉Br₂N₃O₂
• 分子量: 493.198
• InChiKey: HRJZUCMULKBXND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  74
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-<(3-bromo-benzylcarbamoyl)-methyl>-3-(6-bromo-3H-indol-3-yl)-propionamide 在 bis(triphenylphosphine)nickel(II) chloride 、 三苯基膦 、 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以17%的产率得到7,13,16-Triazatetracyclo[16.3.1.12,6.05,9]tricosa-1(21),2(23),3,5,8,18(22),19-heptaene-12,15-dione
  参考文献：
  名称：

  Synthetic studies towards western and eastern macropolypeptide subunits of kistamycin

  摘要：

  The western subunit (fused bicyclic 16+15 membered ring) was synthesized by sequential intramolecular SNAr reaction and the first 17-membered ring compound as model of the eastern subunit was obtained by an intramolecular Ni-0 mediated coupling reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00171-4
• 作为产物：
  描述：

  6-溴吲哚-3-甲醛 在 哌啶 、 bismuth(III) chloride 、 sodium hydroxide 、 sodium tetrahydroborate 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-<(3-bromo-benzylcarbamoyl)-methyl>-3-(6-bromo-3H-indol-3-yl)-propionamide
  参考文献：
  名称：

  The first synthesis of simplified 16- and 17-membered ring macropolypeptides containing the phenyl-indole system of kistamycin and chloropeptin I, II

  摘要：

  The synthesis of simplified 16- and 17-membered ring: macropolypeptides was achieved hv Ni degrees mediated carbon-carbon ring closure of property substituted linear precursors. (C) 1998 Published by Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0040-4039(98)00819-3

文献信息

• The first synthesis of simplified 16- and 17-membered ring macropolypeptides containing the phenyl-indole system of kistamycin and chloropeptin I, II
  作者：Annie-Claude Carbonnelle、Eduardo González Zamora、René Beugelmans、Georges Roussi

  DOI：10.1016/s0040-4039(98)00819-3

  日期：1998.6

  The synthesis of simplified 16- and 17-membered ring: macropolypeptides was achieved hv Ni degrees mediated carbon-carbon ring closure of property substituted linear precursors. (C) 1998 Published by Elsevier Science Ltd. Ail rights reserved.
• Synthetic studies towards western and eastern macropolypeptide subunits of kistamycin
  作者：René Beugelmans、Georges Roussi、Eduardo González Zamora、Annie-Claude Carbonnelle

  DOI：10.1016/s0040-4020(99)00171-4

  日期：1999.4

  The western subunit (fused bicyclic 16+15 membered ring) was synthesized by sequential intramolecular SNAr reaction and the first 17-membered ring compound as model of the eastern subunit was obtained by an intramolecular Ni-0 mediated coupling reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.