3-methyl-1-phenyl-4-valeryl-2-pyrazolin-5-one | 31197-11-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 3-methyl-1-phenyl-4-valeryl-2-pyrazolin-5-one
• 英文别名: 5-methyl-4-pentanoyl-2-phenyl-4H-pyrazol-3-one
• CAS: 31197-11-2
• 化学式: C₁₅H₁₈N₂O₂
• 分子量: 258.32
• InChiKey: FWANNVVRIBWSEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-1-phenyl-4-valeryl-2-pyrazolin-5-one 、 4-氨基安替比林 以 乙醇 为溶剂， 以54%的产率得到N-(3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-one)-4-aminoantipyrine
  参考文献：
  名称：

  Metal nitrosyl complexes of bioinorganic, catalytic, and environmental relevance: A novel single-step synthesis of dinitrosylmolybdenum(0) complexes of {Mo(NO)2}6 electron configuration involving Schiff bases derived from 4-acyl-3-methyl-1-phenyl-2-pyrazolin-5-one and 4-aminoantipyrine, directly from molybdate(VI) and their characterization

  摘要：

  This paper reports the synthesis of five new hexa-coordinated mixed-ligand dinitrosyl complexes of molybdenum(0) of the composition [Mo(NO)(2)(L)(OH)], where LH = N-(3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-one)-4-aminoantipyrine (mphvp-aapH), N-(4'-benzoylidene-3'-methyl-1'-phenyl-2 '-pyrazolin-5'-one)-4-aminoafitipyrine (bmphp-aapH), N-(3'-methyl-l-phenyl-4'-propionylidene-2'-pyrazolin-5'-one)-4-aminoantipyrine (mphpp-aapH), N-(4'-acetylidene-3'-methyl-l-phenyl-2'-pyrazolin-5 '-one)-4-aminoantipyrine (amphp-aapH) or N-(-4-iso-butyrylidene-3-methyl-l'-phenyl-2'-pyrazolin-5'-one)-4-aminoantipyrine (iso-bumphp-aapH) directly from molybdate (VI) in a single step and in a single pot. The compounds so obtained have been characterized by elemental analyses, molar conductance, decomposition temperature and magnetic measurements, thermogravimetric analyses, infrared and electronic spectral studies. They were found to contain low-spin [Mo(NO)2]6 electron configuration. A cis-octahedral structure has been proposed for these complexes. The 3D molecular modeling and analysis for bond lengths and bond angles have also been carried out for one of the representative compounds, [Mo(NO)(2)(bmphp-aap)(OH)] (2). (c) 2006 Published by Elsevier B.V.

  DOI：

  10.1016/j.molstruc.2006.03.094
• 作为产物：
  描述：

  戊酰氯 、 依达拉奉 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-methyl-1-phenyl-4-valeryl-2-pyrazolin-5-one
  参考文献：
  名称：

  与生物无机和医药相关的氧钒 (IV) 复合物：合成、表征和 3D 分子建模和分析一些涉及吡唑啉酮磺胺药物席夫碱的 O、N 供体环境的氧钒 (IV) 复合物

  摘要：

  摘要 四种新的氧钒 (IV) 配合物，由五水合硫酸氧钒与衍生自 3-methyl-1-phenyl-4-valeryl-2-pyrazolin-5-one 和磺胺类药物 N -( 3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-one)sulfadiazine (L 1 H), N -(3'-methyl-1'-phenyl-4'-valerylidene- 2'-pyrazolin-5'-)sulfaguanidine (L 2 H), N -(3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-one)sulphanilamide (L 3 H)和 N '(-3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-one)sulphamethoxazole

  DOI：

  10.1016/j.molstruc.2006.01.031

文献信息

• Okafor, Emmanuel C.; Uzoukwu, Bieluonwu A., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1992, vol. 22, p. 921 - 928
  作者：Okafor, Emmanuel C.、Uzoukwu, Bieluonwu A.

  DOI：——

  日期：——
• Uzoukwu, Bieluonwu Augustus, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1992, vol. 22, p. 185 - 194
  作者：Uzoukwu, Bieluonwu Augustus

  DOI：——

  日期：——
• Uzoukwu, Bieluonwu Augustus, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1991, vol. 21, p. 881 - 896
  作者：Uzoukwu, Bieluonwu Augustus

  DOI：——

  日期：——
• Uzoukwu, Bieluonwu A., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1993, vol. 23, p. 1087 - 1096
  作者：Uzoukwu, Bieluonwu A.

  DOI：——

  日期：——