6-[2-(tert-Butoxycarbonyl-{2-[5-(2,2,2-trichloro-ethoxycarbonyl)-pentylcarbamoyl]-ethyl}-amino)-acetylamino]-hexanoic acid benzyl ester | 890649-85-1

• 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: 6-[2-(tert-Butoxycarbonyl-{2-[5-(2,2,2-trichloro-ethoxycarbonyl)-pentylcarbamoyl]-ethyl}-amino)-acetylamino]-hexanoic acid benzyl ester
• CAS: 890649-85-1
• 化学式: C₃₁H₄₆Cl₃N₃O₈
• 分子量: 695.081
• InChiKey: RKBFVPJPAZQBOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  45.0
• 可旋转键数：
  20.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  140.34
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  6-[2-(tert-Butoxycarbonyl-{2-[5-(2,2,2-trichloro-ethoxycarbonyl)-pentylcarbamoyl]-ethyl}-amino)-acetylamino]-hexanoic acid benzyl ester 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以39%的产率得到6-[2-(tert-Butoxycarbonyl-{2-[5-(2,2,2-trichloro-ethoxycarbonyl)-pentylcarbamoyl]-ethyl}-amino)-acetylamino]-hexanoic acid
  参考文献：
  名称：

  Syntheses of new peptidic glycoclusters derived from β-alanine: di- and trimerized glycoclusters and glycocluster–clusters

  摘要：

  Fluorescence-labeled glycoclusters I and 2 have been synthesized to elongate glycocluster units that contain beta-alamine derivative 6 and sugar unit 7. Similarly, di- and trimerized glycoclusters 3 and 4 have been obtained by coupling glycocluster 17 with succinyl chloride and/or trimesoyl chloride, respectively. Furthermore, glycocluster-cluster 5 was also synthesized by a convergent growth approach. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2006.02.015
• 作为产物：
  描述：

  3-(tert-butoxycarbonyl-carboxymethylamino)-propionic acid 2,2,2-trichloroethylester 在 氰基磷酸二乙酯 、 溶剂黄146 、 三乙胺 、 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 6-[2-(tert-Butoxycarbonyl-{2-[5-(2,2,2-trichloro-ethoxycarbonyl)-pentylcarbamoyl]-ethyl}-amino)-acetylamino]-hexanoic acid benzyl ester
  参考文献：
  名称：

  Syntheses of new peptidic glycoclusters derived from β-alanine: di- and trimerized glycoclusters and glycocluster–clusters

  摘要：

  Fluorescence-labeled glycoclusters I and 2 have been synthesized to elongate glycocluster units that contain beta-alamine derivative 6 and sugar unit 7. Similarly, di- and trimerized glycoclusters 3 and 4 have been obtained by coupling glycocluster 17 with succinyl chloride and/or trimesoyl chloride, respectively. Furthermore, glycocluster-cluster 5 was also synthesized by a convergent growth approach. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2006.02.015