5-(ethoxycarbonyl)-6-hydroxy-2,6-dimethyl-4-(m-nitrophenyl)-1,4,5,6-tetrahydropyrimidine | 98064-08-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(ethoxycarbonyl)-6-hydroxy-2,6-dimethyl-4-(m-nitrophenyl)-1,4,5,6-tetrahydropyrimidine
• 英文别名: 5-Ethoxycarbonyl-6-hydroxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4,5,6-tetrahydropyrimidine；ethyl 6-hydroxy-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate
• CAS: 98064-08-5
• 化学式: C₁₅H₁₉N₃O₅
• 分子量: 321.333
• InChiKey: HWRGTZIMDRWTLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(ethoxycarbonyl)-6-hydroxy-2,6-dimethyl-4-(m-nitrophenyl)-1,4,5,6-tetrahydropyrimidine 在 sodium hydride 、 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 2.08h， 生成 3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(m-nitrophenyl)-3,4-dihydropyrimidine
  参考文献：
  名称：

  Synthesis of novel dihydropyrimidines and tetrahydropyrimidines

  摘要：

  DOI：

  10.1021/jo00222a009
• 作为产物：
  描述：

  盐酸乙脒 、 ethyl (Z)-2-(3-nitrobenzylidene)-3-oxobutanoate 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以99%的产率得到5-(ethoxycarbonyl)-6-hydroxy-2,6-dimethyl-4-(m-nitrophenyl)-1,4,5,6-tetrahydropyrimidine
  参考文献：
  名称：

  Synthesis of novel dihydropyrimidines and tetrahydropyrimidines

  摘要：

  DOI：

  10.1021/jo00222a009

文献信息

• 3N-substituted 3,4-dihydropyrimidines as agents for treating disorders
  申请人：Suntory Limited

  公开号：US04640922A1

  公开（公告）日：1987-02-03

  A 3N-substituted 3,4-dihydropyrimidine derivative of the formula: ##STR1## wherein R.sup.1 is methyl or ethyl, R.sup.2 is methyl or ethyl, R is phenyl or substituted phenyl, X is chloro or methyl and pharmaceutically acceptable acid addition salts thereof have substantially the same strong vasodilative and Ca.sup.++ antagonistic effects as nicardipine and therefore are useful as agents for treating disorders of the cardiovascular system, for example, hypotensive agents, agents for amelioration of brain circulation and anti-angina pectoris agents. Processes for producing the above compounds economically and effectively are also disclosed.

  一种3N-取代的3,4-二氢嘧啶衍生物，其化学式为：##STR1## 其中R.sup.1为甲基或乙基，R.sup.2为甲基或乙基，R为苯基或取代苯基，X为氯或甲基，以及其药学上可接受的酸盐加合物具有与尼卡地平相同的强烈血管扩张和Ca.sup.++拮抗作用，因此可用于治疗心血管系统疾病，例如降压剂、改善脑循环的剂和抗心绞痛剂。本文还公开了经济有效地生产上述化合物的方法。
• 3N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions
  申请人：SUNTORY LIMITED

  公开号：EP0157219A1

  公开（公告）日：1985-10-09

  A 3N-substituted 3,4-dihydropyrimidine derivative of the formula: wherein R' is methyl or ethyl, R2 is methyl or ethyl, R is phenyl or substituted phenyl, X is chloro or methyl and pharmaceutically acceptable acid addition salts thereof have in form of pharmaceutical compositions substantially the same strong vasodilative and Ca++ antagonistic effects as nicardipine and therefore are useful as agents for treating disorders of the cardiovascular system, for example, hypotensive agents, agents for amelioration of brain circulation and anti-angina pectoris agents. Processes for producing the above compounds economically and effectively are also disclosed.

  式中 R' 为甲基或乙基，R2 为甲基或乙基，R 为苯基或取代苯基，X 为氯或甲基的 3N 取代的 3,4-二氢嘧啶衍生物及其药学上可接受的酸加成盐在药物组合物形式上具有与尼卡地平基本相同的强血管扩张和 Ca++ 拮抗作用，因此可用作治疗心血管系统疾病的药物，例如降血压药、改善脑循环的药物和抗心绞痛药。 还公开了经济有效地生产上述化合物的工艺。
• CHO, HIDETSURA;SHIMA, KEIYUU;HAYASHIMATSU, MARIKO;OHNAKA, YOSHIKO;MIZUNO,+, J. ORG. CHEM., 1985, 50, N 22, 4227-4230
  作者：CHO, HIDETSURA、SHIMA, KEIYUU、HAYASHIMATSU, MARIKO、OHNAKA, YOSHIKO、MIZUNO,+

  DOI：——

  日期：——
• TE, SGOREHN;SIMA, KEHJSUKEH;XAYASIMATSU, MARIKO;KUBOTA, XIROAKI
  作者：TE, SGOREHN、SIMA, KEHJSUKEH、XAYASIMATSU, MARIKO、KUBOTA, XIROAKI

  DOI：——

  日期：——
• ——
  作者：CHO HIDETSURA、 AISAKA KAZUO、 EMON MARIKO

  DOI：——

  日期：——