4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazinyl-1-carboxylic acid tert-butyl ester | 511254-88-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: 4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazinyl-1-carboxylic acid tert-butyl ester
• CAS: 511254-88-9
• 化学式: C₁₇H₂₄N₄O₂
• 分子量: 316.403
• InChiKey: FFVQSDLLROCBJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  50.08
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazinyl-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.33h， 以90%的产率得到N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazine
  参考文献：
  名称：

  Analogs of the dopamine D4 receptor ligand FAUC 113 with planar- and central-chirality

  摘要：

  employing yeast enzymes, natural amino acids and the Jacobsen's catalyst as sources of chirality, we have synthesized pyrazolo[1,5-a]pyridine derivatives with central- and planar-chirality as analogs of the dopamine D4 receptor ligand FAUC 113. In vitro binding experiments displayed enhanced D2 and D3 affinity for both enantiomers of the [2.2]paracyclophane 3. The C-methylpiperazine (R)-4a revealed excellent D4 selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00639-0
• 作为产物：
  描述：

  吡唑并[1,5-a]吡啶 、 聚合甲醛 、 N-Boc-哌嗪 在 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以80%的产率得到4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazinyl-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Analogs of the dopamine D4 receptor ligand FAUC 113 with planar- and central-chirality

  摘要：

  employing yeast enzymes, natural amino acids and the Jacobsen's catalyst as sources of chirality, we have synthesized pyrazolo[1,5-a]pyridine derivatives with central- and planar-chirality as analogs of the dopamine D4 receptor ligand FAUC 113. In vitro binding experiments displayed enhanced D2 and D3 affinity for both enantiomers of the [2.2]paracyclophane 3. The C-methylpiperazine (R)-4a revealed excellent D4 selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00639-0