8-(3-chloropropyl)-4-dimethylamino-8,9-dihydro-6H-pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazin-6-one | 1429879-96-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 8-(3-chloropropyl)-4-dimethylamino-8,9-dihydro-6H-pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazin-6-one
• 英文别名: 12-(3-Chloropropyl)-6-(dimethylamino)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one；12-(3-chloropropyl)-6-(dimethylamino)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one
• CAS: 1429879-96-8
• 化学式: C₁₄H₁₇ClN₄O₂
• 分子量: 308.768
• InChiKey: FSKMDLVPBMOTIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde 在 氯化亚砜 、 水 、 sodium methylate 、 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 15.0h， 生成 8-(3-chloropropyl)-4-dimethylamino-8,9-dihydro-6H-pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazin-6-one
  参考文献：
  名称：

  Synthesis of 7-alkyl-4-amino-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acids

  摘要：

  Two variants are discussed for the synthesis of ethyl N-alkyl-N-(6-amino-5-formylpyrimidin-4-yl)-glycinate derivatives, which are converted by intramolecular cyclization under the influence of sodium methoxide to give methyl 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylates. New derivatives of pyrimido- [5',4':4,5]pyrrolo[2,1-c][1,4]oxazines containing 3-chloropropyl groups at position 8 have been prepared.

  DOI：

  10.1007/s10593-013-1218-0

文献信息

• Synthesis of 7-alkyl-4-amino-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acids
  作者：E. V. Verves、A. V. Kucher、L. V. Muzychka、O. B. Smolii

  DOI：10.1007/s10593-013-1218-0

  日期：2013.3

  Two variants are discussed for the synthesis of ethyl N-alkyl-N-(6-amino-5-formylpyrimidin-4-yl)-glycinate derivatives, which are converted by intramolecular cyclization under the influence of sodium methoxide to give methyl 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylates. New derivatives of pyrimido- [5',4':4,5]pyrrolo[2,1-c][1,4]oxazines containing 3-chloropropyl groups at position 8 have been prepared.