N'-[3-Methyl-1-pyridin-4-yl-but-(E)-ylidene]-hydrazinecarboxylic acid tert-butyl ester | 109353-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N'-[3-Methyl-1-pyridin-4-yl-but-(E)-ylidene]-hydrazinecarboxylic acid tert-butyl ester
• 英文别名: tert-butyl N-[(3-methyl-1-pyridin-4-ylbutylidene)amino]carbamate
• CAS: 109353-04-0
• 化学式: C₁₅H₂₃N₃O₂
• 分子量: 277.367
• InChiKey: XJIKDVHFRWPAHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N'-[3-Methyl-1-pyridin-4-yl-but-(E)-ylidene]-hydrazinecarboxylic acid tert-butyl ester 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 20.0 ℃ 、275.79 kPa 条件下， 反应 18.0h， 生成 7-Chloro-2-(3-methyl-1-pyridin-4-yl-butyl)-2,3-dihydro-5H-pyridazino[4,5-b]quinoline-1,4,10-trione; compound with methanesulfonic acid
  参考文献：
  名称：

  Synthesis of 7-chloro-2,3-dihydro-2-[1-(pyridinyl)alkyl]-pyridazino[4,5- b ]quinoline-1,4,10(5 H )-triones as NMDA glycine-site antagonists

  摘要：

  Several members of the 7-chloro-2,3-dihydro-2-[1-(pyridinyl)alkyl]-pyridazino[4,5-b]quinoline-1,4,10(5H)-triones (2) have been identified as being potent and selective NMDA glycine-site antagonists. Increasing size of the alkyl substituent on the alpha-carbon led to a progressive decrease in binding affinity. Some of these analogues possess improved drug-like properties such as cellular permeability, solubility and oral absorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00750-9
• 作为产物：
  描述：

  肼基甲酸叔丁酯 、 4-(3-methylbutyryl)pyridine 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 N'-[3-Methyl-1-pyridin-4-yl-but-(E)-ylidene]-hydrazinecarboxylic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis of 7-chloro-2,3-dihydro-2-[1-(pyridinyl)alkyl]-pyridazino[4,5- b ]quinoline-1,4,10(5 H )-triones as NMDA glycine-site antagonists

  摘要：

  Several members of the 7-chloro-2,3-dihydro-2-[1-(pyridinyl)alkyl]-pyridazino[4,5-b]quinoline-1,4,10(5H)-triones (2) have been identified as being potent and selective NMDA glycine-site antagonists. Increasing size of the alkyl substituent on the alpha-carbon led to a progressive decrease in binding affinity. Some of these analogues possess improved drug-like properties such as cellular permeability, solubility and oral absorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00750-9