N-[2-[(4-氨基间甲苯基)乙基氨基]乙基]甲磺酰胺 | 92-09-1

• 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: N-[2-[(4-氨基间甲苯基)乙基氨基]乙基]甲磺酰胺
• 英文名称: N-{2-[(4-amino-m-tolyl)ethylamino]ethyl}methanesulfonamide
• 英文别名: N-ethyl-N-<2-(methane-sulfonamido)ethyl>-2-methylbenzene-1,4-diamine；N-Ethyl-N-(2-methansulfonamidoethyl)-2-methyl-1,4-phenylendiamin；4-amino-3-methyl-N-ethyl-N-(4-methylsulfonamidoethyl)aniline；N-[2-(N-ethyl-4-amino-3-methyl-anilino)-ethyl]-methanesulfonamide；N-[2-(N-Aethyl-4-amino-3-methyl-anilino)-aethyl]-methansulfonamid；4-amino-3-methyl-N-ethyl-N-[β-(methanesulfonamido)ethyl]aniline；Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-；N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide
• CAS: 92-09-1
• 化学式: C₁₂H₂₁N₃O₂S
• 分子量: 271.384
• InChiKey: NPKFETRYYSUTEC-UHFFFAOYSA-N

物化性质

• 沸点：
  455.0±55.0 °C(Predicted)
• 密度：
  1.22 at 20℃
• LogP：
  0.822 at 25℃ and pH7.5
• 解离常数：
  2.86-11.69 at 25℃
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

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

安全信息

• 储存条件：
  库房应保持通风、低温和干燥。

制备方法与用途

类别：有毒物品

毒性分级：高毒

急性毒性：

• 口服（大鼠）LD₅₀: 400毫克/公斤
• 腹腔注射（大鼠）LD₅₀: 10毫克/公斤

可燃性危险特性： 该物质可燃，燃烧时会产生有毒的氮氧化物和硫氧化物烟雾。

储运特性： 应存放在通风良好、低温干燥的库房中。

灭火剂： 可用干粉、泡沫、砂土、二氧化碳或雾状水进行灭火。

反应信息

• 作为反应物：
  描述：

  N-[2-[(4-氨基间甲苯基)乙基氨基]乙基]甲磺酰胺 在 碘 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 3-Methyl-p-benzochinonmonoimin
  参考文献：
  名称：

  Movchan, A. I.; Yablokova, E. V.; Kulakov, A. A., Russian Journal of Organic Chemistry, 1993, vol. 29, # 2.2, p. 301 - 306

  摘要：

  DOI：
• 作为产物：
  描述：

  N-[2-[乙基(3-甲基-4-亚硝基苯基)氨基]乙基]甲烷磺酰胺 生成 N-[2-[(4-氨基间甲苯基)乙基氨基]乙基]甲磺酰胺
  参考文献：
  名称：

  TERC, JIRI;BARTOS, ARNOST;GERVINKOVA, JANA;POKORNY, MIROSLAV;BILEK, JIRI

  摘要：

  DOI：

文献信息

• 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。
• One step hair coloring compositions using salts
  申请人：Unilever Home & Personal Care USA, Division of Conopco, Inc.

  公开号：US20040019980A1

  公开（公告）日：2004-02-05

  A hair coloring composition comprising 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 amino phenol, a naphthol, a polyhydric phenol, a catechol and mixtures thereof; wherein the composition comprising one or more oxidative hair coloring agents further comprises al least one water soluble carbonate releasing salts; and optionally a water soluble ammonium salt, is described.

  一种染发组合物，包括以下两种组分，这两种组分在涂抹到头发之前混合： (a) 包括水溶性过氧化氧化剂的组合物；和 (b) 包括从芳香二胺、氨基酚、萘酚、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；其中包括一种或多种氧化染发剂的组合物进一步包括至少一种水溶性碳酸盐释放盐；和可选地一种水溶性铵盐。
• Process for preparing 4-amino-3-methyl-N-substituted or unsubstituted
  申请人：Sanko Chemical Company Ltd.

  公开号：US04009205A1

  公开（公告）日：1977-02-22

  A process for the preparation of 4-amino-3-methyl-N-substituted or unsubstituted alkylanilines comprising acylating and/or sulfonylating 4-amino-3-methyl-nitro-benzene having the formula (I) ##STR1## with an acylation or sulfonylation agent to obtain a compound having the general formula (II) ##STR2## wherein R.sub.1 represents a hydrogen atom or an acyl group, R.sub.2 represents an acyl group or a sulfonyl group, or R.sub.1 and R.sub.2 can combine as a difunctional acyl group; reducing the nitro group of the compound having the general formula (II) with hydrogen in the presence of a metal hydrogenation catalyst to obtain a compound having the general formula (III) ##STR3## wherein R.sub.1 and R.sub.2 are as above defined; alkylating the amino group of the compound having the general formula (III) with an alkylation agent selected from the group consisting of an alkyl halide, a substituted alkyl halide and an alkylene oxide to obtain a compound having the general formula (IV) ##STR4## wherein R.sub.1 and R.sub.2 are as above defined, R.sub.3 represents an alkyl group or a substituted alkyl group and R.sub.4 represents a hydrogen atom, an alkyl group or a substituted alkyl group; and hydrolyzing the compound having the general formula (IV) to obtain a compound having the general formula (V) ##STR5## wherein R.sub.3 and R.sub.4 are as above defined.

  一种制备4-氨基-3-甲基-N-取代或未取代烷基苯胺的方法，包括使具有化学式（I）的4-氨基-3-甲基-硝基苯乙酰化和/或磺酰化，其中R.sub.1代表氢原子或酰基，R.sub.2代表酰基或磺酰基，或R.sub.1和R.sub.2可以组合为双官能团酰基；在金属氢化催化剂存在下用氢还原具有化学式（II）的化合物的硝基基团，其中R.sub.1和R.sub.2如上所定义；用从由烷基卤化物、取代烷基卤化物和烷氧基组成的群中选择的烷基化试剂烷基化具有化学式（III）的化合物的氨基团，其中R.sub.1和R.sub.2如上所定义，R.sub.3代表烷基或取代烷基，R.sub.4代表氢原子、烷基或取代烷基；水解具有化学式（IV）的化合物以获得具有化学式（V）的化合物，其中R.sub.3和R.sub.4如上所定义。
• Enhanced color deposition for hair with sequestering agents
  申请人：Unilever Home & Personal Care USA, Division of Conopco, Inc.

  公开号：US20030135935A1

  公开（公告）日：2003-07-24

  Hair coloring compositions which comprise: (A) non-nitrogenous chelating agents from the group consisting of polyphosphate; phosphonates; hydroxycarboxylates; polyacrylates; zeolite; and mixtures thereof; (B) an oxidative dye primary intermediate; and (C) an oxidative dye coupler; (D) and water are described. The present invention also relates to a method for coloring hair which comprises contacting said hair with a hair coloring composition as described above.

  描述了包括以下成分的染发配方：(A) 来自聚磷酸盐、膦酸盐、羟基羧酸盐、聚丙烯酸盐、沸石及其混合物等组成的非氮螯合剂；(B) 一种氧化染料的主要中间体；和(C) 一种氧化染料偶联剂；(D) 以及水。本发明还涉及一种染发方法，该方法包括将头发与上述描述的染发配方接触。
• Synthesis of peptoid substituted azole compounds
  申请人：——

  公开号：US20030187188A1

  公开（公告）日：2003-10-02

  Disclosed is a process for the preparation of a peptoid substituted azole compound comprising reacting an amino functionalized azole compound with a resin bound peptoid oligomer bearing a terminal halogen substituent followed by cleavage of the resultant product from the resin surface using a fluorinated organic acid in an inert solvent.

  本发明公开了一种制备肽样取代咪唑化合物的方法，包括将氨基功能化的咪唑化合物与带有端基卤素取代基的树脂结合的肽样寡聚体反应，随后在惰性溶剂中使用氟化有机酸从树脂表面解离所得产物。