4-氨基-2,6-二甲基苯酚 | 15980-22-0

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-氨基-2,6-二甲基苯酚
• 中文别名: 苯酚,4-氨基-2,6-二甲基-
• 英文名称: 3,5-dimethyl-4-hydroxyaniline
• 英文别名: 4-amino-2,6-dimethylphenol；2,6-dimethyl-4-aminophenol
• CAS: 15980-22-0
• 化学式: C₈H₁₁NO
• mdl: MFCD10039560
• 分子量: 137.181
• InChiKey: OMVFXCQLSCPJNR-UHFFFAOYSA-N

物化性质

• 熔点：
  137-138 °C (decomp)(Solv: water (7732-18-5))
• 沸点：
  282.8±28.0 °C(Predicted)
• 密度：
  1.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922299090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  4-氨基-2,6-二甲基苯酚 在 lead dioxide 作用下， 以 乙酸乙酯 为溶剂， 生成 3,5-dimethylquinone-1-imine
  参考文献：
  名称：

  Transimination of Quinone Imines: A Mechanism for Embedding Exogenous Redox Activity into the Nucleosome

  摘要：

  Aminophenols can redox cycle through the corresponding quinone imines to generate ROS. The electrophilic quinone imine intermediate can react with protein thiols as a mechanism of immobilization in vivo. Here, we describe the previously unkown transimination of a quinone imine by lysine as an alternative anchoring mechanism. The redox properties of the condensation product remain largely unchanged because the only structural change to the redox nucleus is the addition of an alkyl substituent to the imine nitrogen. Transimination enables targeting of histone proteins since histones are lysine-rich but nearly devoid of cysteines. Consequently, quinone imines can be embedded in the nucleosome and may be expected to produce ROS in maximal proximity to the genome.

  DOI：

  10.1021/tx3004517
• 作为产物：
  描述：

  2,6-二甲基-2,5-环己二烯-1,4-二酮 在 盐酸 、 盐酸羟胺 、 sodium acetate 、 tin(ll) chloride 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 17.5h， 生成 4-氨基-2,6-二甲基苯酚
  参考文献：
  名称：

  对苯醌氮衍生物的狄尔斯-阿尔德反应：实验和理论研究

  摘要：

  对对苯醌和三种氮衍生物的狄尔斯-阿尔德反应的比较反应性和选择性进行了实验和理论研究。单肟衍生物在所测试的反应条件下不反应，而甲苯磺酸化的单肟反应缓慢。然而，单N-甲苯磺酰基亚胺显示出优异的反应性，并且优于母体对-苯醌。DFT计算支持这些实验结果。

  DOI：

  10.1016/j.tet.2014.07.088

文献信息

• HAIR COLORING COMPOSITIONS
  申请人：——

  公开号：US20020032933A1

  公开（公告）日：2002-03-21

  A hair coloring composition comprising: (a) from about 0.0003 moles (per 100 g of composition) to less than about 0.09 moles (per 100 g of composition) of an inorganic peroxygen oxidizing agent; and (b) an oxidative hair coloring agent; wherein the pH of each of (a) and (b) is in the range of from about 1 to about 6 and wherein the combined mixture of (a) and (b) has a pH in the range of from about 1 to about 6. The products can provide excellent hair coloring and in-use efficacy benefits including excellent initial color and good wash fastness in combination with reduced hair damage at low pH.

  一种染发组合物，包括：(a)约0.0003摩尔（每100克组合物）至约0.09摩尔（每100克组合物）的无机过氧化氧化剂；和(b)氧化性染发剂；其中(a)和(b)的pH值在约1至约6的范围内，且(a)和(b)的混合物的pH值在约1至约6的范围内。该产品可以提供出色的染发效果和使用效果，包括出色的初始颜色和良好的耐洗性，同时在低pH值下减少头发损伤。
• Hair colouring and conditioning compositions
  申请人：The Procter & Gamble Company

  公开号：US20030113286A1

  公开（公告）日：2003-06-19

  A hair colouring and conditioning composition comprising: (a) a hair colouring agent; and (b) a hair conditioning agent; wherein the composition provides an Average Combing Index Value of greater than 1.2 as measured by the Combing Technical Test Method. The products can provide excellent hair colouring together with excellent conditioning, reduced hair damage, brittleness and dryness, and is convenient and easy to use.

  一种包括： (a) 染发剂；和 (b) 护发剂； 的染发和护理组合物； 其中该组合物通过梳理技术测试方法测得的平均梳理指数值大于1.2。 该产品可以提供优秀的染发效果以及优秀的护理效果，减少头发损伤、脆弱和干燥，且使用方便。
• Novel Compounds
  申请人：Gottschling Dirk

  公开号：US20120088755A1

  公开（公告）日：2012-04-12

  The present invention relates to the new compounds of general formula I wherein A, U, V, X, Y, R 1 , R 2 and R 3 are defined as stated hereinafter, the tautomers, the isomers thereof, the diastereomers, the enantiomers, the hydrates, the mixtures and the salts thereof as well as the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, medicaments containing these compounds, their use and processes for preparing them.

  本发明涉及一般式I的新化合物，其中A、U、V、X、Y、R1、R2和R3的定义如下所述，其互变异构体、异构体、二对映异构体、对映体、水合物、混合物及其盐以及该盐的水合物，特别是与无机或有机酸或碱形成的生理上可接受的盐，含有这些化合物的药物，它们的用途以及制备它们的方法。
• Transition metal complexes as dye forming catalysts in hair coloring compositions
  申请人：Unilever Home & Personal Care USA, Division of Conopco, Inc.

  公开号：US20030066140A1

  公开（公告）日：2003-04-10

  A hair coloring composition comprising a first composition which comprises: (a) a dye forming transition metal salt or complex; which is first applied to the hair; and a second composition which comprises the following two compositions which are mixed just prior to application to the hair: (a) a composition comprising a water-soluble peroxygen oxidizing agent; and (b) a composition comprising one or more oxidative hair coloring agents selected from the group consisting of an aromatic diamine, an aminophenol, a polyhydric phenol a catechol and mixtures thereof.

  一种染发组合物，包括以下两种组分： （a）染料形成的过渡金属盐或络合物；首先涂抹在头发上； 和包括以下两种组分的第二组合物，这两种组分在涂抹到头发之前混合： （a）包含水溶性过氧化氧化剂的组合物；和 （b）包含从芳香二胺、氨基酚、多羟基酚、邻苯二酚和它们的混合物中选择的一种或多种氧化染发剂的组合物。
• Hair conditioning compositions and their use in hair colouring compositions
  申请人：The Procter & Gamble Company

  公开号：US20030219399A1

  公开（公告）日：2003-11-27

  The present invention relates to a hair care composition comprising a aminofunctional polysiloxane having a specified average effective particle size which provides improved durable conditioning particularly when utilised in conjunction with a hair colouring composition.

  本发明涉及一种头发护理组合物，包括具有特定平均有效粒径的氨基官能聚硅氧烷，当与染发组合物一起使用时，能提供改善的持久调理效果。