1-(4'-sulfophenyl)-3-methylpyrazol-5-one | 26878-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4'-sulfophenyl)-3-methylpyrazol-5-one
• 英文别名: 1-(4'-sulfophenyl)-3-methyl-5-pyrazolone；4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid；1-(4'-sulpho-phenyl)-3-methyl-5-pyrazolone；4-(3-methyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-benzenesulfonic acid；4-(3-Methyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-benzolsulfonsaeure；3-methyl-1-phenyl-5-pyrazolone-4'-sulphonic acid；3-methyl-1-(4'-sulphophenyl)-5-pyrazolone；3-methyl-1-(4'-sulphophenyl)pyrazol-5-one；4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid
• CAS: 26878-11-5
• 化学式: C₁₀H₁₀N₂O₄S
• mdl: MFCD00748592
• 分子量: 254.266
• InChiKey: VFMNIJOKAXPZLE-UHFFFAOYSA-N

物化性质

• 密度：
  1.490±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4'-sulfophenyl)-3-methylpyrazol-5-one 在 sodium hydroxide 、 溴 、 溶剂黄146 作用下， 生成 4-(4-bromo-3-methyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-benzenesulfonic acid
  参考文献：
  名称：

  Smith; Merits, 1953, vol. 23, p. 51,65

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基-2-苯基-1,2-二氢吡唑-3-酮 在 硫酸 作用下， 生成 1-(4'-sulfophenyl)-3-methylpyrazol-5-one
  参考文献：
  名称：

  Cremlyn, R. J.; Obiorah, O.; Singh, G., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 559 - 561

  摘要：

  DOI：

文献信息

• Pigment compositions for solvent and water-based ink systems and the methods for producing them
  申请人：HOECHST CELANESE CORPORATION

  公开号：EP0592907A1

  公开（公告）日：1994-04-20

  This invention is an azo pigment composition containing a water insoluble metal salt of a water soluble polymer; a method of preparing said composition and ink compositions prepared from said azo pigment compositions.

  这项发明是一种含有水不溶性金属盐的水溶性聚合物的偶氮颜料组合物；一种制备该组合物的方法以及由该偶氮颜料组合物制备的油墨组合物。
• 1-Hexzl-1H-Pyrazole-4,5-Diamine Hemisulfate, and Its Use in Dyeing Compositions
  申请人：The Procter & Gamble Company

  公开号：US20130212810A1

  公开（公告）日：2013-08-22

  1-hexyl-1H-pyrazole-4,5-diamine hemisulfate, as represented in formula (IX-a), and its use in oxidative dyeing composition. This pyrazole salt was found to combine good stability as raw material and good shade intensity with a range of common couplers when formulated in hair dyeing composition.

  1-己基-1H-吡唑-4,5-二胺硫酸半盐，如式（IX-a）所示，并其在氧化染料组合物中的应用。这种吡唑盐在头发染料组合物中配方时，发现它既具有良好的原料稳定性，又能与一系列常见的偶联剂结合，呈现出良好的色泽强度。
• Stable Yellow Imidazolium Compounds
  申请人：NOXELL COPRORATION

  公开号：US20180079907A1

  公开（公告）日：2018-03-22

  Described herein is a yellow imidazolium chromophore having a structure according to Formula V.

  本文描述了一种具有如下V式结构的黄色咪唑铵色团。
• [EN] CATIONIC DIRECT DYES<br/>[FR] COLORANTS DIRECTS CATIONIQUES
  申请人：BASF SE

  公开号：WO2016146813A1

  公开（公告）日：2016-09-22

  The invention relates to cationic direct dyes of the formula I (1), wherein m and n are independently from each other 0 or 1, D is an aromatic or a cationic heteroaromatic group, which are further specified, K is an aromatic or heteroaromatic group, E1 and E2 are independently from each other =CH- or =N-, An is an anion and a is a number from 1 to 6 and R1 and R2 are independently from each other and further specified. The compounds show washfastness at hair-dying.

  这项发明涉及公式I（1）的阳离子直接染料，其中m和n分别独立于0或1，D是芳香或阳离子杂芳基，进一步具体说明，K是芳香或杂芳基，E1和E2分别独立于=CH-或=N-，An是阴离子，a是1到6之间的数字，R1和R2分别独立于彼此并进一步具体说明。这些化合物在染发时表现出良好的耐洗性。
• Method of Coloring Hair with Direct Dye Compounds
  申请人：The Procter & Gamble Company

  公开号：US20160271041A1

  公开（公告）日：2016-09-22

  Described herein is a method of dyeing the hair. The method includes applying to the hair a hair color composition including one or more direct dye compounds and rinsing the hair with water. The one or more direct dye compounds each include a chromophore, one or two permanent cations, one to four incipient cations, and one or more hydrophobic moieties. The incipient cations are pendant to the core structure and are neutral. The one or more direct dye compounds enter the hair shaft after the hair color composition is applied to the hair. The hair color composition has a pH of from about 7 to about 11. The pH of the hair after rinsing is from about 3.5 to about 6. The rinsing of the hair causes one or more of the one to four incipient cations to change from neutral to positively charged inside of the hair shaft.

  本文描述了一种染发的方法。该方法包括将含有一种或多种直接染料化合物的染发剂涂抹在头发上，并用水冲洗头发。这些一种或多种直接染料化合物中每种包括一个色团、一个或两个永久阳离子、一个到四个初级阳离子和一个或多个疏水基团。初级阳离子悬挂在核心结构上并且是中性的。这些一种或多种直接染料化合物在涂抹在头发上后进入头发内部。染发剂的pH值约为7到11。冲洗后头发的pH值约为3.5到6。冲洗头发导致一个或多个初级阳离子从中性转变为带正电荷的状态进入头发内部。