1-[5-(Chloromethyl)-1,2,3,7-tetrahydroimidazo[1,2-d][1,2,4]triazin-8-yl]ethanone | 191677-87-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1-[5-(Chloromethyl)-1,2,3,7-tetrahydroimidazo[1,2-d][1,2,4]triazin-8-yl]ethanone
• CAS: 191677-87-9
• 化学式: C₈H₁₁ClN₄O
• 分子量: 214.655
• InChiKey: LGPDIBUVTNDAFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  吗啉 、 1-[5-(Chloromethyl)-1,2,3,7-tetrahydroimidazo[1,2-d][1,2,4]triazin-8-yl]ethanone 反应 12.0h， 以62%的产率得到1-[5-(Morpholin-4-ylmethyl)-1,2,3,7-tetrahydroimidazo[1,2-d][1,2,4]triazin-8-yl]ethanone
  参考文献：
  名称：

  A Novel Synthesis of Imidazo[2,1-d][1,2,4]triazine and Imidazo[2,1-d][1,2,5]triazepine Derivatives via Ketene-N,N-acetal

  摘要：

  The ketene-S,S-acetal Iwas preparedunder phase-transfer catalysis (PTC) in benzene-carbonate two phase system using tetrabutylammonium bromide as thecatalyst. Upon treatment with 1,2-diaminoethane, followed by hydrolysis with sodium methoxide, I gave 2-(2-oxopropylidene) imidazoline III. Bromination of III and replacement of bromine by hydrazine afforded 2-(1-hydazino-1,2-oxopropylidene)imidazoline V. Compound V was used as a precursor for the preparation of the previously unreported fused nitrogen heterocyclic ring system of imidazotriazine VI, VIII, XI, XII and imidazotriazepine IX, X.

  DOI：

  10.1080/00397919708004107
• 作为产物：
  描述：

  1-(imidazolidin-2-ylidene)-propan-2-one 在 N-溴代丁二酰亚胺(NBS) 、 一水合肼 作用下， 以 四氯化碳 、 乙醇 、 溶剂黄146 为溶剂， 反应 8.25h， 生成 1-[5-(Chloromethyl)-1,2,3,7-tetrahydroimidazo[1,2-d][1,2,4]triazin-8-yl]ethanone
  参考文献：
  名称：

  A Novel Synthesis of Imidazo[2,1-d][1,2,4]triazine and Imidazo[2,1-d][1,2,5]triazepine Derivatives via Ketene-N,N-acetal

  摘要：

  The ketene-S,S-acetal Iwas preparedunder phase-transfer catalysis (PTC) in benzene-carbonate two phase system using tetrabutylammonium bromide as thecatalyst. Upon treatment with 1,2-diaminoethane, followed by hydrolysis with sodium methoxide, I gave 2-(2-oxopropylidene) imidazoline III. Bromination of III and replacement of bromine by hydrazine afforded 2-(1-hydazino-1,2-oxopropylidene)imidazoline V. Compound V was used as a precursor for the preparation of the previously unreported fused nitrogen heterocyclic ring system of imidazotriazine VI, VIII, XI, XII and imidazotriazepine IX, X.

  DOI：

  10.1080/00397919708004107

文献信息

• A Novel Synthesis of Imidazo[2,1-d][1,2,4]triazine and Imidazo[2,1-d][1,2,5]triazepine Derivatives via Ketene-N,N-acetal
  作者：Ahmed M. M. El-Saghier、Abdussalam A. Maihub、Hatif A. Al-Shirayda

  DOI：10.1080/00397919708004107

  日期：1997.7

  The ketene-S,S-acetal Iwas preparedunder phase-transfer catalysis (PTC) in benzene-carbonate two phase system using tetrabutylammonium bromide as thecatalyst. Upon treatment with 1,2-diaminoethane, followed by hydrolysis with sodium methoxide, I gave 2-(2-oxopropylidene) imidazoline III. Bromination of III and replacement of bromine by hydrazine afforded 2-(1-hydazino-1,2-oxopropylidene)imidazoline V. Compound V was used as a precursor for the preparation of the previously unreported fused nitrogen heterocyclic ring system of imidazotriazine VI, VIII, XI, XII and imidazotriazepine IX, X.