2-[4-氨基(乙基)-3-甲基苯胺]-1-乙醇 | 2359-51-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[4-氨基(乙基)-3-甲基苯胺]-1-乙醇
• 英文名称: 4-Amino-3-methyl-N-ethyl-N-<2-hydroxy-ethyl>anilin
• 英文别名: 4-Amino-5-methyl-N-ethyl-N-<β-hydroxyethyl>-anilin；2-(N-ethyl-4-amino-3-methyl-anilino)-ethanol；2-(N-Aethyl-4-amino-3-methyl-anilino)-aethanol；2-(4-amino-N-ethyl-m-toluidino)ethanol；2-Methyl-4-[N-ethyl-N-(β-hydroxyethyl)amino]aniline；2-methyl-4-[N-ethyl-N-(2-hydroxyethyl)amino]aniline；2-(4-amino-N-ethyl-3-methylanilino)ethanol
• CAS: 2359-51-5
• 化学式: C₁₁H₁₈N₂O
• mdl: MFCD00476518
• 分子量: 194.277
• InChiKey: QTLHLXYADXCVCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  49.5
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

毒理性

• 副作用

皮肤致敏剂 - 一种可以诱导皮肤产生过敏反应的制剂。

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 毒性数据

LC50 (大鼠) > 164 mg/m³/6小时

LC50 (rat) > 164 mg/m3/6hr

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

反应信息

• 作为反应物：
  描述：

  2-[4-氨基(乙基)-3-甲基苯胺]-1-乙醇 在 苄基三乙基氢氧化铵 、 溶剂黄146 作用下， 反应 10.0h， 生成 3-[2-[N-ethyl-3-methyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]ethoxy]propanenitrile
  参考文献：
  名称：

  一种苯并异噻唑-偶氮分散蓝染料的制备方法

  摘要：

  本发明公开了一种苯并异噻唑‑偶氮分散蓝染料的制备方法，包括以下步骤：(1)以2‑位取代的4‑(N‑烷基‑N‑羟乙基)苯胺和丙烯腈为起始原料，在碱和催化剂的作用下，发生加成反应，得到式Ⅲ所示的加成产物；(2)将3‑氨基‑5‑硝基‑2，1‑苯并异噻唑溶解在溶剂中，经氧化剂氧化，得到亚硝基化合物；(3)步骤(1)中得到的加成产物和步骤(2)中得到的所述亚硝基化合物在酸的催化作用下发生偶氮反应，得到苯并异噻唑‑偶氮分散蓝染料。本发明提供的制备方法反应条件温和，原料价廉易得、合成路线较短、生产成本较低、对人体和环境污染较小、适合工业化生产。

  公开号：

  CN109608901A
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 锌 作用下， 生成 2-[4-氨基(乙基)-3-甲基苯胺]-1-乙醇
  参考文献：
  名称：

  Chemical Constitution, Electrochemical, Photographic and Allergenic Properties of p-Amino-N-dialkylanilines¹

  摘要：

  DOI：

  10.1021/ja01151a037

文献信息

• [EN] PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF<br/>[FR] COLORANTS DIRECTS SPÉCIFIQUES D'AZOMÉTHINE, COMPOSITION DE COLORANT COMPRENANT AU MOINS L'UN DE CES COMPOSÉS, LEUR PROCÉDÉ DE MISE EN OEUVRE ET LEUR UTILISATION
  申请人：OREAL

  公开号：WO2013087636A1

  公开（公告）日：2013-06-20

  The present invention relates to direct dyes of azomethine type of formula (I) below; and also to the use thereof for dyeing keratin fibres, in particular human keratin fibres such as the hair. The invention also relates to a composition for dyeing keratin fibres, comprising such direct dyes in a suitable dyeing medium. Similarly, a subject of the invention is a process for dyeing keratin fibres using the said dye composition, and also a device comprising the same. Finally, the present invention also relates to precursors of these direct dyes.

  本发明涉及以下式(I)的偶氮亚甲基型直接染料；以及其用于染色角蛋白纤维，特别是人类角蛋白纤维如头发的用途。该发明还涉及一种用于染色角蛋白纤维的组合物，包括适当的染色介质中的这种直接染料。同样，本发明的一个对象是使用所述染料组合物染色角蛋白纤维的方法，以及包括相同的设备。最后，本发明还涉及这些直接染料的前体。
• Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them
  申请人：DR. REDDY'S RESEARCH FOUNDATION

  公开号：US20030065175A1

  公开（公告）日：2003-04-03

  The present invention relates to novel oxazolidinone compounds of the general formula (I) 1 where R 1 , R 2 , R 3 , Y 1 , Y 2 , Y 3 , and Z are as defined in the description; their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutical acceptable salts, their pharmaceutically acceptable solvates and pharmaceutical compositions containing them.

  本发明涉及一种新型噁唑啉化合物，其通式为（I）1，其中R1、R2、R3、Y1、Y2、Y3和Z如描述中所定义；它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂化合物以及含有它们的制药组合物。
• Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them
  申请人：DR. REDDY'S LABORATORIES INC.

  公开号：US20040059120A1

  公开（公告）日：2004-03-25

  The present invention relates to novel oxazolidinone compounds of the general formula (I). 1 where R 1 , R 2 , R 3 , Y 1 , Y 2 , Y 3 , and Z are as defined in the description; their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutical compositions containing them.

  本发明涉及一种新的氧唑啉化合物，其一般式为（I）1，其中R1，R2，R3，Y1，Y2，Y3和Z如描述中所定义；它们的衍生物，类似物，互变异构体，立体异构体，多晶形，药学上可接受的盐，药学上可接受的溶剂和包含它们的药物组合物。
• Self-immolative probes for enzyme activity detection
  申请人：Szczepanik Maciej

  公开号：US20120122136A1

  公开（公告）日：2012-05-17

  Provided is a compound comprising the structure: (SIG)-(SI-MOD) m . In this compound, SIG is a signaling molecule, SI is a self-immolative structure bound to SIG such that SIG has a reduced signal relative to the signal of SIG without SI, MOD is a moiety bound to SI that is subject to modification by an activator, and m is an integer from 1 to about 10. With this compound, when MOD is modified by an activator, SI is destabilized and self-cleaved from SIG such that SIG generates an increased signal. Also provided is a method of determining whether a sample comprises an activator, using the above-described compound. Additionally provided is a method of determining whether a cell comprises a nitroreductase using the above-described compound where nitroreductase is the activator. Further provided is a method of determining whether a mammalian cell is hypoxic using the above-described compound where nitroreductase is the activator. A method of detecting a microorganism that comprises a nitroreductase, using the above-described compound where nitroreductase is the activator, is also provided. Also provided is a method of identifying nitroreductase in a sample, using the above-described compound where nitroreductase is the activator.

  提供的是一种化合物，包括结构：(SIG)-(SI-MOD)m。在该化合物中，SIG是一种信号分子，SI是结合在SIG上的自解离结构，使得SIG的信号相对于没有SI的SIG降低，MOD是结合在SI上的一种基团，可被活化剂修饰，m是1到约10的整数。使用这种化合物，当MOD被活化剂修饰时，SI被不稳定化并从SIG中自我裂解，从而使SIG产生增加的信号。还提供了一种使用上述化合物确定样品是否包含活化剂的方法。此外，还提供了一种使用上述化合物确定细胞是否包含硝基还原酶的方法，其中硝基还原酶是活化剂。还提供了一种使用上述化合物确定哺乳动物细胞是否低氧的方法，其中硝基还原酶是活化剂。还提供了一种使用上述化合物检测包含硝基还原酶的微生物的方法，其中硝基还原酶是活化剂。还提供了一种使用上述化合物在样品中鉴定硝基还原酶的方法，其中硝基还原酶是活化剂。
• PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF
  申请人：L'OREAL

  公开号：US20150000688A1

  公开（公告）日：2015-01-01

  The present invention relates to direct dyes of azomethine type of formula (I) below; and also to the use thereof for dyeing keratin fibres, in particular human keratin fibres such as the hair. The invention also relates to a composition for dyeing keratin fibres, comprising such direct dyes in a suitable dyeing medium. Similarly, a subject of the invention is a process for dyeing keratin fibres using the said dye composition, and also a device comprising the same. Finally, the present invention also relates to precursors of these direct dyes.

  本发明涉及以下式子(I)的偶氮甲基型直接染料；以及其用于染色角蛋白纤维，特别是人类角蛋白纤维，如头发。本发明还涉及一种用于染色角蛋白纤维的组合物，其中包括适当的染料介质中的这种直接染料。同样，本发明的一个主题是使用所述染料组合物染色角蛋白纤维的过程，以及包括同样染料组合物的装置。最后，本发明还涉及这些直接染料的前体。