1-(2'-chloro-5'-sulphophenyl)-3-methyl-pyrazol-5-one | 529502-85-0

• 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-(2'-chloro-5'-sulphophenyl)-3-methyl-pyrazol-5-one
• 英文别名: 1-(2'-chloro-5'-sulfophenyl)-3-methyl-5-pyrazolone；4-chloro-3-(3-methyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-benzenesulfonic acid；4-Chlor-3-(3-methyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-benzolsulfonsaeure；1-(2'-chlorophenyl)-3-methyl-5-pyrazolone-5'-sulphonic acid；1-(2-chloro-5-sulfophenyl)-3-methylpyrazol-5-one；4-Chloro-3-(3-methyl-5-oxo-2H-pyrazol-1-YL)benzenesulfonic acid；4-chloro-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid
• CAS: 529502-85-0
• 化学式: C₁₀H₉ClN₂O₄S
• 分子量: 288.711
• InChiKey: JIDVKTFOIRORRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 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-(2'-chloro-5'-sulphophenyl)-3-methyl-pyrazol-5-one 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  DE409281

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯-3-肼基苯磺酸 、 乙酰乙酸乙酯 生成 1-(2'-chloro-5'-sulphophenyl)-3-methyl-pyrazol-5-one
  参考文献：
  名称：

  Cohn,G., Die Pyrazolfarbstoffe , S. 14

  摘要：

  DOI：

文献信息

• 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] HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES<br/>[FR] COMPOSITIONS DE COLORATION DES CHEVEUX COMPRENANT DES COLORANTS D'IMIDAZOLIUM STABLES VIOLET-BLEU AU BLEU
  申请人：NOXELL CORP

  公开号：WO2018053034A1

  公开（公告）日：2018-03-22

  Disclosed are hair color compositions comprising novel stable violet-blue to blue imidazolium azo compounds that have a simplified chromophore and high relative solubility in aqueous systems, and that are surprisingly stable under the conditions of use and storage. These compositions are useful for dyeing fibers such as hair and other keratinaceous materials. The compositions can optionally include an oxidant. Also disclosed are methods for dying keratin fibers including human hair using the disclosed hair color compositions. The methods optionally include an ability to alter the electronic charge in situ of the hair color compositions

  揭示了包含新型稳定的紫蓝至蓝色咪唑啉偶氮化合物的染发配方，该化合物具有简化的色团结构，在水系统中具有高相对溶解度，并且在使用和储存条件下具有惊人的稳定性。这些配方适用于染色纤维，如头发和其他角蛋白材料。这些配方可以选择性地包含氧化剂。还揭示了使用所述染发配方染色角蛋白纤维，包括人类头发的方法。这些方法可以选择性地包括在原位改变染发配方的电子电荷的能力。
• [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。