3-diethylamino-1-(4-propoxy-phenyl)-propan-1-one; hydrochloride | 73826-39-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-diethylamino-1-(4-propoxy-phenyl)-propan-1-one; hydrochloride
• 英文别名: 3-Diaethylamino-1-(4-propoxy-phenyl)-propan-1-on; Hydrochlorid；Propiophenone, 3-(diethylamino)-4'-propoxy-, hydrochloride；3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride
• CAS: 73826-39-8
• 化学式: C₁₆H₂₅NO₂*ClH
• 分子量: 299.841
• InChiKey: VBMBNAKWUQZPNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.81
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-二甲基-6-氨基脲嘧啶 、 3-diethylamino-1-(4-propoxy-phenyl)-propan-1-one; hydrochloride 以 乙醇 、 水 为溶剂， 以62 %的产率得到1,3-dimethyl-7-(4-propoxyphenyl)-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Synthesis and Effect of Substituted Pyrido[2,3-d]pyrimidine-2,4-diones on In Vitro Tumor DNA Methylation

  摘要：

  3-dimethyluracil results in heterocyclization products, namely 1,3-dimethyl-7-aryl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-diones, 1,3-dimethyl-7-aryl-6-phenyl(4-halophenyl)-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-diones and 1,3-dimethyl-7-aryl-6-phenyl-(4-halophenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-diones. The effect of the synthesized compounds on in vitro tumor DNA methylation was studied.

  DOI：

  10.1134/s1070363223040047

文献信息

• Synthesis and Effect of Substituted Pyrido[2,3-d]pyrimidine-2,4-diones on In Vitro Tumor DNA Methylation
  作者：A. U. Isakhanyan、N. Z. Hakobyan、Z. A. Hovasyan、L. E. Nersesyan、A. S. Aharonyan、I. S. Danielyan、Н. A. Panosyan、A. A. Harutyunyan

  DOI：10.1134/s1070363223040047

  日期：2023.4

  3-dimethyluracil results in heterocyclization products, namely 1,3-dimethyl-7-aryl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-diones, 1,3-dimethyl-7-aryl-6-phenyl(4-halophenyl)-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-diones and 1,3-dimethyl-7-aryl-6-phenyl-(4-halophenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-diones. The effect of the synthesized compounds on in vitro tumor DNA methylation was studied.