7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidine-2,4-diyldiamine | 20739-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidine-2,4-diyldiamine
• 英文别名: 7,8-Dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-2,4-diyldiamin；2,11,13-Triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine
• CAS: 20739-21-3
• 化学式: C₁₀H₁₁N₅
• 分子量: 201.231
• InChiKey: BKWKQFQZAASHJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  90.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile 在 sodium hydroxide 、 间氯过氧苯甲酸 作用下， 以 二苯醚 、 乙醇 、 二氯甲烷 为溶剂， 反应 32.0h， 生成 7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidine-2,4-diyldiamine
  参考文献：
  名称：

  A convenient synthesis of 5-deaza nonclassical antifolates: Reaction of cyanothioacetamide with sodium salts of 2-(hydroxymethylene)-1-cycloalkanones

  摘要：

  Condensation of cyanothioacetamide with sodium salts of 2-(Hydroxymethylene)-1-cycloalkanones afforded the corresponding pyridine-2(1H)-thiones 4. Compounds 4 served as a key intermediates for the synthesis of condensed 2,4-diaminopyrido[2,3-d]pyridines 7. Compounds 7 were of interest as potential inhibitors of dihydrofolate reductase.

  DOI：

  10.1016/s0040-4020(01)80745-6

文献信息

• Pyrimidine compounds
  申请人：BURROUGHS WELLCOME CO

  公开号：US02749344A1

  公开（公告）日：1956-06-05
• A convenient synthesis of 5-deaza nonclassical antifolates: Reaction of cyanothioacetamide with sodium salts of 2-(hydroxymethylene)-1-cycloalkanones
  作者：Galal E.H. Elgemeie、Badria A.W. Hussain

  DOI：10.1016/s0040-4020(01)80745-6

  日期：1994.4

  Condensation of cyanothioacetamide with sodium salts of 2-(Hydroxymethylene)-1-cycloalkanones afforded the corresponding pyridine-2(1H)-thiones 4. Compounds 4 served as a key intermediates for the synthesis of condensed 2,4-diaminopyrido[2,3-d]pyridines 7. Compounds 7 were of interest as potential inhibitors of dihydrofolate reductase.