((benzyl-[tert-butylcarbamoyl-(2-fluoro-phenyl)-methyl]-carbamoyl)-methyl)-carbamic acid tert-butyl ester | 1296672-37-1

• 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: ((benzyl-[tert-butylcarbamoyl-(2-fluoro-phenyl)-methyl]-carbamoyl)-methyl)-carbamic acid tert-butyl ester
• 英文别名: Boc-Gly-DL-N(Bn)Phg(2-F)-NHtBu；tert-butyl N-[2-[benzyl-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
• CAS: 1296672-37-1
• 化学式: C₂₆H₃₄FN₃O₄
• 分子量: 471.572
• InChiKey: RXQDXGZHANGNBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  87.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ((benzyl-[tert-butylcarbamoyl-(2-fluoro-phenyl)-methyl]-carbamoyl)-methyl)-carbamic acid tert-butyl ester 在 溶剂黄146 作用下， 反应 0.17h， 以95%的产率得到1-benzyl-6-(2-fluoro-phenyl)-piperazine-2,5-dione
  参考文献：
  名称：

  A facile and rapid synthesis of N-benzyl-2-substituted piperazines

  摘要：

  A facile and rapid synthetic approach of N-benzyl-2-substituted piperazine building-blocks via an Ugi strategy is described. This strategy is high yielding (80-92% overall yield), step-efficient and fast using microwave heating and tert-butylisocyanide as a convertible isocyanide. This method is useful for the obtention of key intermediates in medicinal chemistry. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.011
• 作为产物：
  描述：

  BOC-甘氨酸 、 异氰酸叔丁酯 、 2-氟苯甲醛 、 苄胺 以 甲醇 为溶剂， 反应 0.5h， 以98%的产率得到((benzyl-[tert-butylcarbamoyl-(2-fluoro-phenyl)-methyl]-carbamoyl)-methyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  A facile and rapid synthesis of N-benzyl-2-substituted piperazines

  摘要：

  A facile and rapid synthetic approach of N-benzyl-2-substituted piperazine building-blocks via an Ugi strategy is described. This strategy is high yielding (80-92% overall yield), step-efficient and fast using microwave heating and tert-butylisocyanide as a convertible isocyanide. This method is useful for the obtention of key intermediates in medicinal chemistry. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.011

文献信息

• A facile and rapid synthesis of N-benzyl-2-substituted piperazines
  作者：Mouhamad Jida、Mohamad Soueidan、Nicolas Willand、Francine Agbossou-Niedercorn、Lydie Pelinski、Guillaume Laconde、Rebecca Deprez-Poulain、Benoit Deprez

  DOI：10.1016/j.tetlet.2011.02.011

  日期：2011.4

  A facile and rapid synthetic approach of N-benzyl-2-substituted piperazine building-blocks via an Ugi strategy is described. This strategy is high yielding (80-92% overall yield), step-efficient and fast using microwave heating and tert-butylisocyanide as a convertible isocyanide. This method is useful for the obtention of key intermediates in medicinal chemistry. (c) 2011 Elsevier Ltd. All rights reserved.