4,4-methine-bis-(3-methyl-1-phenyl-2-pyrazolin-5-one) | 61466-03-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,4-methine-bis-(3-methyl-1-phenyl-2-pyrazolin-5-one)
• 英文别名: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-2,4-dihydro-3H-pyrazol-4-yl)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one；4-<(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyliden>-5-methyl-2-phenyl-pyrazol-3(2H)-on；4-<4'-(5'-hydroxy-3'-methyl-1'-phenylpyrazolyl)>-3-methyl-1-phenylpyrazolin-5-one；3,3'-dimethyl-1,1'-diphenyl-4,4'-dipyrazolylmethylidene；4,4'-methylenebis(3-methyl-1-phenyl-5-pyrazolone)；di(3-methyl-1-phenyl-5-oxopyrazolyl-4)methane；5,5'-dimethyl-2,2'-diphenyl-1,2,2',4'-tetrahydro-4,4'methanylylidene-bis-pyrazol-3-one
• CAS: 61466-03-3
• 化学式: C₂₁H₁₈N₄O₂
• 分子量: 358.4
• InChiKey: PHCPNSHHXUOXSD-UYRXBGFRSA-N

物化性质

• 沸点：
  547.3±60.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  70.72
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4,4-methine-bis-(3-methyl-1-phenyl-2-pyrazolin-5-one) 、 5-(4-硝基苯基)-2-苯基-2,4-二氢-3H-吡唑-3-酮 生成
  参考文献：
  名称：

  Azines and Their Acyclic Derivatives as Transferers of One-carbon Fragment in Reactions with Pyrazolones

  摘要：

  DOI：

  10.1023/b:cohc.0000014412.48911.60
• 作为产物：
  描述：

  4-bromo-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one 在 potassium acetate 作用下， 以 1,4-二氧六环 、 乙醚 、 乙醇 、 水 为溶剂， 生成 4,4-methine-bis-(3-methyl-1-phenyl-2-pyrazolin-5-one)
  参考文献：
  名称：

  Hennig, L.; Haessner, R.; Rissanen, K., Journal fur praktische Chemie (Leipzig 1954), 1989, vol. 331, # 4, p. 584 - 590

  摘要：

  DOI：

文献信息

• 4-Bromo-3-methyl-1-phenylpyrazole in Heterocyclic Synthesis: Unexpected Polysubstituted Pyrazole Derivatives
  作者：Eman A. El-Rady、Fawi M. Abd El Latif

  DOI：10.1002/jccs.200400119

  日期：2004.8

  Unexpected 4,4′-dipyrazolomethylidene (7), 4-amino-3a-bromo-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-thione (9), 4,4′-dipyrazolyl (18), ethyl 4-(3-methyl-1-phenylpyrazole-4-yl)fuoro[2,3-c]pyrazole-4-carboxylate (25), as well as the expected fuoro[2,3-c]pyrazole derivatives (15), (20) and (28) were isolated from a one-pot reaction of 4-bromo-3-methyl-1-phenylpyrazole (1) with some readily available

  意外的 4,4'-dipyrazolomethylidene (7)、4-amino-3a-bromo-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-thione (9)、4,4'-dipyrazolyl (18) )、4-(3-甲基-1-苯基吡唑-4-基)氟代[2,3-c]吡唑-4-羧酸乙酯(25)，以及预期的氟代[2,3-c]吡唑衍生物(15)、(20) 和 (28) 是从 4-溴-3-甲基-1-苯基吡唑 (1) 与一些容易获得的试剂的一锅反应中分离出来的。
• Novel assay systems for vanadium bromoperoxidase
  申请人：Ortho-Clinical Diagnostics, Inc.

  公开号：EP1002873A2

  公开（公告）日：2000-05-24

  Analytical systems and assays are disclosed which can be used to sensitively and rapidly detect a wide variety analytes. The assays are carried out using haloperoxidase, halide, peroxide and a signal-generating compound which upon halogenation provides a detectable change in spectral absorption.

  已公开的分析系统和检测方法可用于灵敏、快速地检测各种分析物。这些检测方法使用卤代过氧化物酶、卤化物、过氧化物和一种信号生成化合物，卤化后可检测到光谱吸收的变化。
• Reaction of 2-Chloro-1-alkyl-1H-Indol-3-carbaldehydes with Barbituric Acids and 5-Methyl-2-phenyl-2,4-dihydropyrazol-3-one. Formation of Compound with Extremely Short Intramolecular Hydrogen Bond in Eight-Membered Pseudocycle
  作者：Konstantin F. Suzdalev、Maria N. Babakova、Victor G. Kartsev、Konstantin A. Krasnov

  DOI：10.3987/com-14-13135

  日期：——

  New indolin-2-one derivatives, containing in its molecules eight-membered pseudo-cycle with unusually short intramolecular hydrogen bond in OHO-bridge have been synthesized by reaction of 2-chloro-1-alkyl-1H-indole-3-carbaldehyde with barbituric acids or 5-methyl-2-phenyl-2,4-dihydropyrazol-3-one. Under the action of amines they undergo fragmentation to 5-aminomethylenebarbituric acids or 4-aminomethylenepyrazolones and 1-alkyl-1,3-dihydroindo1-2-ones.
• Reaction of 5-azacytosine with 3-methyl-1-phenyl-5-pyrazolone
  作者：Yu. A. Azev、I. V. Teplyashina、B. V. Golomolzin

  DOI：10.1007/bf02253232

  日期：1997.9
• Reaction of dipyrazolylmethanes with 1-phenyl-3-methylpyrazol-5-one
  作者：Yu. A. Azev、I. V. Teplyashina

  DOI：10.1007/bf02251560

  日期：1998.9