5H-嘧啶并[4,5-b][1,4]恶嗪 | 255-12-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5H-嘧啶并[4,5-b][1,4]恶嗪
• 英文名称: 5H-Pyrimido[4,5-b][1,4]oxazine
• CAS: 255-12-9
• 化学式: C₆H₅N₃O
• 分子量: 135.12
• InChiKey: AMVSDQKAVISQSU-UHFFFAOYSA-N

物化性质

• 沸点：
  249.0±40.0 °C(Predicted)
• 密度：
  1.310±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Pyrido(4,3-b)(1,4) oxazines and pyrido(4,3-b) (1,4)thiazines
  申请人：Southern Research Institute

  公开号：EP0107130A1

  公开（公告）日：1984-05-02

  There are disclosed certain 2H-pyrido[4,3-b]-[1,4]oxazines and 2H-pyrido[4,3-b][1,4]thiazines which posses biological activity. The compounds have the structure: wherein n has a value of 1,2 or 3; X is oxygen or sulfur; R, is a lower alkyl group, e.g., an alkyl group containing up to six carbon atoms such as methyl, ethyl, propyl, butyl, etc.; R2 is a member selected from the group consisting of hydrogen, alkyl radicals having from about one to about 12 carbon atoms, preferably from about one to about six carbon atoms; alkenyl radicals having from about two to about 15 carbon atoms, preferably from about two to about 10 carbon atoms; cycloalkyl radicals having from about three to about 20 carbon atoms, preferably from about three to about 15 carbon atoms: aryl, aralkyl and alkaryl radicals having from about six to about 20 carbon atoms, preferably from about six to about 15 carbon atoms; a halogen radical, e.g., chlorine, fluorine, bromine and iodine; a hydroxyl group; an amino group; a nitro group; an alkoxy or aryloxy group; a carboxyl group or an alkylcarboxyl group having from about one to about 10 carbon atoms, preferably from about one to about five carbon atoms; an alkylthio group or an arylthio group having from about one to about 20 carbon atoms, preferably from about one to about 15 carbon atoms; a sulfonic acid group or alkyl- or arylsulfonyl group having from about one to about 20 carbon atoms, preferably from about one to about 15 carbon atoms; an alkyl- or arylsulfinyl group having from about one to about 20 carbon atoms, preferably from about one to about 15 carbon atoms; an alkyl- or aryl mono- or diamino group having from about one to about 20 carbon atoms, preferably from about one to about 15 carbon atoms; a hydrocarbyl group, such as defined above, carrying halogen, hydroxyl, amino, alkoxy or aryloxy; when taken together with the aromatic ring to which it is attached, a fused ring structure such as naphthyl; and, when taken together with R., an alkylene radical containing from about one to about 12 carbon atoms, preferably from about one to about six carbon atoms; R3 is hydrogen, methyl, phenyl or, when taken with R2, an alkylene radical as previously defined; R4 is hydrogen or methyl: R3 and R4, when taken together are the radical = 0; and R5 and R6 are both hydrogen, or one is hydrogen and the other is the radical or where taken together are the radical = CHN(CH3)2-

  已公开的某些 2H-吡啶并[4,3-b]-[1,4]噁嗪和 2H-吡啶并[4,3-b][1,4]噻嗪具有生物活性。这些化合物的结构如下 其中 n 的值为 1、2 或 3；X 为氧或硫；R 为低级烷基，例如R，是低级烷基，例如，含有最多六个碳原子的烷基，如甲基、乙基、丙基、丁基等； R2 是选自下列化合物的成员R2 是选自以下组别的成员：氢、具有约 1 至约 12 个碳原子，最好是约 1 至约 6 个碳原子的烷基；具有约 2 至约 15 个碳原子，最好是约 2 至约 10 个碳原子的烯基；具有约 3 至约 20 个碳原子，最好是约 3 至约 15 个碳原子的环烷基；具有约 6 至约 20 个碳原子，最好是约 6 至约 15 个碳原子的芳基、芳烷基和烷芳基；卤素基，例如：氯、氟、溴、氨、醚、醚、醚、醚、醚、醚、醚、醚、醚、醚、醚、醚、醚、醚、羟基；氨基；硝基；烷氧基或芳氧基；羧基或烷基羧基，具有约 1 至约 10 个碳原子，最好是约 1 至约 5 个碳原子；具有约 1 至约 20 个碳原子，最好是 1 至约 15 个碳原子的烷硫基或芳硫基； 具有约 1 至约 20 个碳原子，最好是 1 至约 15 个碳原子的磺酸基或烷基或芳基磺酰基；具有约 1 至约 20 个碳原子，最好是约 1 至约 15 个碳原子的烷基或芳基亚磺酰基； 具有约 1 至约 20 个碳原子，最好是约 1 至约 15 个碳原子的烷基或芳基单氨基或二氨基； 如上定义的烃基，带有卤素、羟基、氨基、烷氧基或芳氧基；当与所连接的芳环一起时，为融合环结构，如萘基；当与 R.,R3 是氢、甲基、苯基，或当与 R2 结合时，是如前定义的亚烷基；R4 是氢或甲基：R3 和 R4 合在一起时是基=0；R5 和 R6 都是氢，或一个是氢，另一个是基 或 R5 和 R6 同为基时 = CHN(CH3)2-
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  公开（公告）日：1994-08-17
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