1,4-Dimorpholino-5-methyl-7-(3,6-dimethyl-phenyl)-pyrido<3,4-d>pyridazin | 57961-37-2

• 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: 1,4-Dimorpholino-5-methyl-7-(3,6-dimethyl-phenyl)-pyrido<3,4-d>pyridazin
• 英文别名: 7-(2,5-dimethyl-phenyl)-5-methyl-1,4-di-morpholin-4-yl-pyrido[3,4-d]pyridazine；4-[7-(2,5-dimethylphenyl)-5-methyl-1-morpholin-4-ylpyrido[3,4-d]pyridazin-4-yl]morpholine
• CAS: 57961-37-2
• 化学式: C₂₄H₂₉N₅O₂
• 分子量: 419.527
• InChiKey: DKDNDQKVUXBLQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,4-dichloro-7-(2,5-dimethylphenyl)-5-methylpyrido[3,4-d]pyridazine 、 吗啉 以54%的产率得到
  参考文献：
  名称：

  OKA Y.; OMURA K.; MIYAKE A.; ITOH K.; TOMIMOTO M.; TADA N.; YURUGI S., CHEM. AND PHARM. BULL. , 1975, 23, NO 10, 2239-2250

  摘要：

  DOI：

文献信息

• Studies on the syntheses of N-heterocyclic compounds. XXV. Syntheses of pyrido(3,4-d)pyridazine derivatives. II.
  作者：YOSHIKAZU OKA、KIYOSHI OMURA、AKIO MIYAKE、KATSUMI ITOH、MITSUMI TOMIMOTO、NORIO TADA、SHOJIRO YURUGI

  DOI：10.1248/cpb.23.2239

  日期：——

  Investigations on the preparative methods and some chemical modifications of the previously reported potent diuretic, 1, 4-dimorpholino-7-phenylpyrido [3, 4-d] pyridazine (1 : DS-511) were undertaken, producing a variety of derivatives shown in Table I. Comparison of the reactivity between the two chloro groups in 1, 4-dichloropyrido [3, 4-d] pyridazine showed that the 4-chloro group is more reactive toward nucleophilic substitution than the 1-chloro group. Some reaction of 1, e. g. acid hydrolysis, reduction and Grignard addition reaction were also carried out. Significance of the ring nitrogen at the 6-position in 1 for diuretic activity is discussed.

  对之前报道的强效利尿剂 1，4-二吗啉基-7-苯基哒嗪[3，4-d] （1 : DS-511）的制备方法和一些化学修饰进行了研究，制备出了表 I 所示的多种衍生物。对 1，4-二氯哒嗪[3，4-d]中两个氯基的反应性进行比较后发现，4-氯基对亲核取代的反应性比 1-氯基强。还对 1 进行了一些反应，如酸水解、还原和格氏加成反应。讨论了 1 中位于 6 位的环氮对利尿活性的重要意义。