N-glycylhexahydropyridazine | 1314916-45-4

• 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: N-glycylhexahydropyridazine
• 英文别名: 2-Amino-1-(diazinan-1-yl)ethanone
• CAS: 1314916-45-4
• 化学式: C₆H₁₃N₃O
• mdl: MFCD19215726
• 分子量: 143.189
• InChiKey: DRPICZZLBFQXNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-glycylhexahydropyridazine 、 N,N'-硫羰基二咪唑 以 乙腈 为溶剂， 反应 24.0h， 以581 mg的产率得到1-thioxotetrahydropyridazino[1,2-a][1,2,4]triazin-4(3H)-one
  参考文献：
  名称：

  The Synthesis, Structure and Reactivity of 1-Thioxotetrahydropyridazino[1,2-a][1,2,4]triazin-4(1H)-one

  摘要：

  The synthesis of 1-thioxotetrahydropyridazino[ 1,2-a][1,2,4]triazin-4(1H)-one 3 in five steps from tert-butyl carbazate and its transformation into 3-benzylidene and 1-amino derivatives are described. Its crystal structure is presented showing it to be an axially chiral molecule that exists as a racemate in the solid state.

  DOI：

  10.3987/com-09-11768
• 作为产物：
  描述：

  1-benzyl-2-[(benzyloxycarbonyl)amino]acetyl tetrahydropyridazine carboxylate 在 5% Pd(II)/C(eggshell) 、 氢气 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成 N-glycylhexahydropyridazine
  参考文献：
  名称：

  The Synthesis, Structure and Reactivity of 1-Thioxotetrahydropyridazino[1,2-a][1,2,4]triazin-4(1H)-one

  摘要：

  The synthesis of 1-thioxotetrahydropyridazino[ 1,2-a][1,2,4]triazin-4(1H)-one 3 in five steps from tert-butyl carbazate and its transformation into 3-benzylidene and 1-amino derivatives are described. Its crystal structure is presented showing it to be an axially chiral molecule that exists as a racemate in the solid state.

  DOI：

  10.3987/com-09-11768

文献信息

• The Synthesis, Structure and Reactivity of 1-Thioxotetrahydropyridazino[1,2-a][1,2,4]triazin-4(1H)-one
  作者：Sandra Jarrett、Ainka Brown、Marvadeen Singh-Wilmot

  DOI：10.3987/com-09-11768

  日期：——

  The synthesis of 1-thioxotetrahydropyridazino[ 1,2-a][1,2,4]triazin-4(1H)-one 3 in five steps from tert-butyl carbazate and its transformation into 3-benzylidene and 1-amino derivatives are described. Its crystal structure is presented showing it to be an axially chiral molecule that exists as a racemate in the solid state.