1-(pyridin-2-yl)-4-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-piperazine | 440652-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(pyridin-2-yl)-4-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-piperazine
• 英文别名: 1-Pyridin-2-yl-4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
• CAS: 440652-33-5
• 化学式: C₂₂H₃₀BN₃O₂
• 分子量: 379.31
• InChiKey: GKYQNVNKOYDBPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(2-吡啶基)哌嗪 、 2-溴乙基基苯硼酸频哪醇酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以48%的产率得到1-(pyridin-2-yl)-4-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-piperazine
  参考文献：
  名称：

  Synthesis of ortho-modified mercapto- and piperazino-methyl-phenylboronic acid derivatives

  摘要：

  The synthesis of 2-mercapto- and 2-piperazino- (methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolanes 4 and 5, respectively, is described and their inhibitory activity against serine proteases including thrombin was measured. Some of these compounds were studied in both the solid state and in solution, displaying no S-B coordination and only weak N-B coordination. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01028-6

文献信息

• Synthesis of ortho-modified mercapto- and piperazino-methyl-phenylboronic acid derivatives
  作者：John Spencer、Andrew P. Burd、Christopher A. Goodwin、Sandrine A.M. Mérette、Michael F. Scully、Trushar Adatia、John J. Deadman

  DOI：10.1016/s0040-4020(01)01028-6

  日期：2002.2

  The synthesis of 2-mercapto- and 2-piperazino- (methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolanes 4 and 5, respectively, is described and their inhibitory activity against serine proteases including thrombin was measured. Some of these compounds were studied in both the solid state and in solution, displaying no S-B coordination and only weak N-B coordination. (C) 2002 Elsevier Science Ltd. All rights reserved.