N,N-diethyl-2,4,6-trimethylbenzenamine | 90679-51-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-diethyl-2,4,6-trimethylbenzenamine
• 英文别名: N,N-diethyl-2,4,6-trimethylaniline；N,N-Diaethyl-2,4,6-trimethyl-anilin
• CAS: 90679-51-9
• 化学式: C₁₃H₂₁N
• 分子量: 191.316
• InChiKey: IRRRAJMWQGSBKY-UHFFFAOYSA-N

物化性质

• 沸点：
  213-215 °C
• 密度：
  0.914±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N-diethyl-2,4,6-trimethylbenzenamine 在 4-二甲氨基吡啶 、 iron(III) chloride 、 二叔丁基过氧化物 、 sodium cyanoborohydride 、 zinc(II) chloride 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 22.0h， 生成 N-ethyl-2,4,6-trimethyl-N-(4-nitro-3-phenylbutyl)aniline
  参考文献：
  名称：

  Iron-Catalyzed Oxidative C(3)–H Functionalization of Amines

  摘要：

  Fe-catalyzed direct dehydrogenative C(3)-functionalization of tertiary arylamines was developed via activation of the sp(3) C(3)-H bond. The reaction is applicable to both cyclic and acyclic amines. The key process is the catalytic desaturative enamine formation from tertiary amines and position-selective C-C bond formation (addition to nitro olefins) at the beta-carbon. Products can be converted to versatile and unique nitrogen-containing molecules.

  DOI：

  10.1021/ol400568u
• 作为产物：
  描述：

  2,4,6-三甲基苯胺 生成 N,N-diethyl-2,4,6-trimethylbenzenamine
  参考文献：
  名称：

  Grammaticakis, Bulletin de la Societe Chimique de France, 1949, p. 134,144

  摘要：

  DOI：

文献信息

• Mechanistic Studies of the Copper-Catalyzed Electrophilic Amination of Diorganozinc Reagents and Development of a Zinc-Free Protocol
  作者：Matthew J. Campbell、Jeffrey S. Johnson

  DOI：10.1021/ol0702829

  日期：2007.4.1

  mechanism for the copper-catalyzed amination of diorganozinc reagents by O-benzoyl-N,N-dialkylhydroxylamines is supported by following stereochemically defined organometallics through the reaction and by employing the endocyclic restriction test. A copper-catalyzed electrophilic amination of organomagnesium compounds is also described in which the use of zinc halides has been eliminated.

  [反应：见正文]通过遵循立体化学定义的有机金属化合物通过反应并采用环内限制性试验，可以支持SN2机制，以O-苯甲酰基-N，N-二烷基羟胺的铜催化胺化二有机锌试剂。还描述了铜催化的有机镁化合物的亲电子胺化，其中已经消除了卤化锌的使用。
• Alkylation of aromatic amines and related compounds using a copper(II)-aluminum(III) couple
  作者：Derek H.R. Barton、Eric Doris

  DOI：10.1016/0040-4039(96)00579-5

  日期：1996.5

  Copper(II)-mediated alkylation of amines and related compounds (e.g. hydrazines, hydrazones, hydroxylamines) using an alkyl aluminum reagent is described. The reaction proceeds selectively and in good yield, utililizing a metal-metal exchange as the key step.

  描述了使用烷基铝试剂的铜（II）介导的胺和相关化合物（例如肼，，羟胺）的烷基化。利用金属-金属交换作为关键步骤，反应以高收率选择性地进行。
• Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists
  申请人：Biediger Ronald

  公开号：US20070293503A1

  公开（公告）日：2007-12-20

  The present invention relates to urotensin II receptor antagonists, CCR-9 antagonists, pharmaceutical compositions containing them and their use.

  本发明涉及尿腺素II受体拮抗剂、CCR-9拮抗剂、含有它们的药物组合物及其用途。
• Process for producing cyclobutanones
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0638537A1

  公开（公告）日：1995-02-15

  A process for producing cyclobutanones with industrial advantage is provided which comprises contacting an α-haloacetyl halide with an ethylenic unsaturated compound in the presence of a dehydrohalogenating agent and a Lewis acid.

  本发明提供了一种具有工业优势的环丁酮生产工艺，该工艺包括在脱氢卤化剂和路易斯酸的存在下，将 α-卤乙酰卤与乙烯基不饱和化合物接触。
• Photopolymerization initiator
  申请人：Tokuyama Corporation

  公开号：EP1457190A1

  公开（公告）日：2004-09-15

  A photopolymerization initiator comprising (A) an α-diketone compound such as camphorquinone, (B1) an aliphatic amine compound such as triethanolamine or N-methyldiethanolamine, (B2) an aromatic amine compound such as ethyl p-dimethylaminobenzoate or N,N-dimethyl p-toluidine, and (C) a triazine compound substituted with a trihalomethyl group, such as 2,4,6-tris(trichloromethyl)-s-triazine or 2-phenyl-4,6-bis(trichloromethyl)-s-triazine. The photopolymerization initiator remains stable against the environmental light such as the indoor illumination light from a fluorescent lamp or the dental light illuminating the interior of the oral cavity, is excellently handled, is quickly cured by the irradiation with an intense light emitted from a light irradiator for polymerization, provides a cured body having excellent properties, can be stably preserved even at high temperatures, and is very useful as a dental composite resin.

  一种光聚合引发剂，包括(A)α-二酮化合物，如樟脑醌；(B1)脂肪族胺化合物，如三乙醇胺或 N-甲基二乙醇胺；(B2)芳香族胺化合物，如对二甲氨基苯甲酸乙酯或 N、(C) 被三卤甲基取代的三嗪化合物，如 2,4,6-三（三氯甲基）-s-三嗪或 2-苯基-4,6-双（三氯甲基）-s-三嗪。这种光聚合引发剂对环境光（如荧光灯的室内照明光或照亮口腔内部的牙科照明光）保持稳定，操作性极佳，经聚合用光照射器发出的强光照射后可迅速固化，固化体具有优异的性能，即使在高温下也能稳定保存，作为牙科复合树脂非常有用。