2,4,7-trioxo-1-propyl-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxylic acid | 1388844-31-2

• 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: 2,4,7-trioxo-1-propyl-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
• 英文别名: 2,4,7-trioxo-1-propyl-8H-pyrido[2,3-d]pyrimidine-5-carboxylic acid
• CAS: 1388844-31-2
• 化学式: C₁₁H₁₁N₃O₅
• 分子量: 265.225
• InChiKey: LAEIODMCOPDBGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4,7-trioxo-1-propyl-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxylic acid 在 三氯氧磷 作用下， 反应 18.0h， 生成 7-chloro-2,4-dioxo-1-propyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
  参考文献：
  名称：

  Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents

  摘要：

  A series of fused and functionalized pyridine derivatives were designed, synthesized and tested for their potential antitubercular properties. All these novel compounds were prepared by using multistep methods involving the construction of pyridine ring as a key synthetic step. Some of these compounds were found to be interesting when tested for their antitubercular properties in vitro and one of them appeared as an attractive and potential antitubercular agent. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.096
• 作为产物：
  描述：

  methyl 2,4,7-trioxo-1-propyl-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxylate 在 sodium hydroxide 作用下， 反应 2.0h， 以79%的产率得到2,4,7-trioxo-1-propyl-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
  参考文献：
  名称：

  Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents

  摘要：

  A series of fused and functionalized pyridine derivatives were designed, synthesized and tested for their potential antitubercular properties. All these novel compounds were prepared by using multistep methods involving the construction of pyridine ring as a key synthetic step. Some of these compounds were found to be interesting when tested for their antitubercular properties in vitro and one of them appeared as an attractive and potential antitubercular agent. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.096

文献信息

• Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents
  作者：Balakrishna Dulla、Baojie Wan、Scott G. Franzblau、Ravikumar Kapavarapu、Oliver Reiser、Javed Iqbal、Manojit Pal

  DOI：10.1016/j.bmcl.2012.05.096

  日期：2012.7

  A series of fused and functionalized pyridine derivatives were designed, synthesized and tested for their potential antitubercular properties. All these novel compounds were prepared by using multistep methods involving the construction of pyridine ring as a key synthetic step. Some of these compounds were found to be interesting when tested for their antitubercular properties in vitro and one of them appeared as an attractive and potential antitubercular agent. (C) 2012 Elsevier Ltd. All rights reserved.