5-hydroxy-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-barbituric acid | 939890-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-hydroxy-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-barbituric acid
• 英文别名: 5-Hydroxy-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-barbitursaeure；2,5,6-trihydroxy-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)pyrimidin-4(5H)-one；5-hydroxy-5-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1,3-diazinane-2,4,6-trione
• CAS: 939890-18-3
• 化学式: C₁₄H₁₂N₄O₅
• 分子量: 316.273
• InChiKey: UQFYLRYNPANMIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  盐酸 、 5-hydroxy-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-barbituric acid 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Pellizzari, Gazzetta Chimica Italiana, 1889, vol. 19, p. 402

  摘要：

  DOI：
• 作为产物：
  描述：

  四氧嘧啶 、 依达拉奉 在 水 作用下， 生成 5-hydroxy-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-barbituric acid
  参考文献：
  名称：

  Pellizzari, Gazzetta Chimica Italiana, 1888, vol. 18, p. 340

  摘要：

  DOI：

文献信息

• Pyrazolone couplers for color photography
  申请人：EASTMAN KODAK CO

  公开号：US02632702A1

  公开（公告）日：1953-03-24

  Pyrazolone derivatives are prepared by condensing one or two molecular proportions of a pyrazolone with xanthydrol, alloxan, or triketohydrindene hydrate. 1 - Phenyl - 3 - (a - phenylbutyrylamino) - 4 - xanthydrylyl-5-pyrazolone is prepared by refluxing together in acetic acid 1-phenyl-3-(a -phenylbutyrylamino) - 5 - pyrazolone and xanthydrol. 1-(21 : 41 : 61-Trichlorophenyl)-3-[311-(2111 : 4111-di - tert. - amylphenoxyacetamido) - benzamido] - 4 - xanthydrylyl - 5 - pyrazolone, 4 : 41 - triketohydrindene - bis - 1 - (21 : 41 : 61 - trichlorophenyl)-3 - [311 - (2111 : 4111 - di - tert. - amylphenoxyacetamido) - benzamido] - 5 - pyrazolone, and alloxan-bis - 1 - (p - tert. - butylphenoxy) - phenyl - 3 - m - (p - tert. - amylphenoxybenzoylamino) - 5 - pyrazolone are similarly prepared. 4 : 41 - Alloxan - bis - 1 - (p - tert. - butylphenoxy) - phenyl - 3 - a - (p - tert. - butylphenoxypropionylamino) - 5 - pyrazolone is prepared by refluxing together 1 - (p - tert. - butylphenoxy) - phenyl - 3 - a - (p - tert. - butylphenoxypropionylamino-5-pyrazolone and alloxan monohydrate in pyridine. 4 - (4 - Hydroxyalloxan) - 1 - phenyl - 3 - methyl - 5 - pyrazolone is prepared by adding alloxan monohydrate in small portions to a suspension of 1-phenyl-3-methyl-5-pyrazolone in distilled water. 4-(4-Hydroxy)-triketohydrindene - 1 - phenyl - 3 - methyl - 5 - pyrazolone is similarly prepared. Specifications 524,154, 524,554, 524,555, 541,589, [all in Group XX], and 680,488 are referred to.

  吡唑酮衍生物是通过将一或两分子比例的吡唑酮与黄橙酮、烯醛或三酮水合物缩合而制备的。在乙酸中回流1-苯基-3-(a-苯丁酰氨基)-4-黄橙酮-5-吡唑酮和黄橙酚可制备1-苯基-3-(a-苯丁酰氨基)-4-黄橙酮基-5-吡唑酮。类似地制备了1-(21:41:61-三氯苯基)-3-[311-(2111:4111-二-叔丁基苯氧乙酰氨基)-苯甲酰氨基]-4-黄橙酮基-5-吡唑酮、4:41-三酮水合物-双-1-(21:41:61-三氯苯基)-3-[311-(2111:4111-二-叔丁基苯氧乙酰氨基)-苯甲酰氨基]-5-吡唑酮和黄橙酮-双-1-(对-叔丁基苯氧基)-苯基-3-间-(对-叔丁基苯氧基苯甲酰氨基)-5-吡唑酮。通过在吡啶中回流1-(对-叔丁基苯氧基)-苯基-3-间-(对-叔丁基苯氧基丙酰氨基)-5-吡唑酮和黄橙酮单水合物可制备4:41-黄橙酮-双-1-(对-叔丁基苯氧基)-苯基-3-间-(对-叔丁基苯氧基丙酰氨基)-5-吡唑酮。通过将黄橙酮单水合物逐渐加入到蒸馏水中1-苯基-3-甲基-5-吡唑酮的悬浮液中可制备4-(4-羟基黄橙酮)-1-苯基-3-甲基-5-吡唑酮。类似地制备了4-(4-羟基)-三酮水合物-1-苯基-3-甲基-5-吡唑酮。参考规格524,154、524,554、524,555、541,589、[均在XX组中]和680,488。
• Pellizzari, Justus Liebigs Annalen der Chemie, 1889, vol. 255, p. 236
  作者：Pellizzari

  DOI：——

  日期：——