1-炔丙基-5-氯嘧啶-2-酮 | 63331-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 1-炔丙基-5-氯嘧啶-2-酮
• 英文名称: 1-propargyl-5-chloropyrimidin-2-one
• 英文别名: 5-chloro-1-prop-2-ynyl-1H-pyrimidin-2-one；1-propargyl-5-chloropyrimid-2-one；1-Propargyl-5-chlor-pyrimid-2-on；5-chloro-1-prop-2-ynylpyrimidin-2-one
• CAS: 63331-26-0
• 化学式: C₇H₅ClN₂O
• mdl: MFCD01689098
• 分子量: 168.583
• InChiKey: OZVGZWRCMBFDBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-羟基-5-氯嘧啶 、 3-溴丙炔 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以61%的产率得到1-炔丙基-5-氯嘧啶-2-酮
  参考文献：
  名称：

  Gacek, Michel; Undheim, Kjell, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1981, vol. 35, # 1, p. 69 - 71

  摘要：

  DOI：

文献信息

• 5-Halopyrimid-2-ones
  申请人：Nyegaard & Co. A/S

  公开号：US04395406A1

  公开（公告）日：1983-07-26

  Novel derivatives of pyrimid-2-one having interesting pharmacological properties are described. The compounds of the invention have been found to be of use in the control of, and in particular in the inhibition of the metaphase of malignant tumours and leukaemias. Processes for the preparation of the novel compounds and pharmaceutical compositions containing them are also described.

  描述了具有有趣药理特性的嘧啶-2-酮的新衍生物。本发明的化合物已被发现可用于控制和特别是抑制恶性肿瘤和白血病的中期有用。还描述了制备新化合物的方法和含有它们的药物组合物。
• 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-
• GACEK M.; UNDHEIM K., ACTA CHEM. SCAND., 1981, B 35, NO 1, 69-71,
  作者：GACEK M.、 UNDHEIM K.

  DOI：——

  日期：——
• US4395406A
  申请人：——

  公开号：US4395406A

  公开（公告）日：1983-07-26
• US4451650A
  申请人：——

  公开号：US4451650A

  公开（公告）日：1984-05-29