2-[(二甲基氨基)甲基]-4-(1,1-二甲基乙基)苯酚 | 97-43-8

• 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-[(二甲基氨基)甲基]-4-(1,1-二甲基乙基)苯酚
• 英文名称: N-[methyl(2-hydroxy-5-tert-butylphenyl)]-N-dimethylamine
• 英文别名: 4-tert-Butyl-2-dimethylaminomethyl-phenol；2-[(dimethylamino)methyl]-4-(1,1-dimethylethyl)phenol；4-tert.-Butyl-2-dimethylaminomethyl-phenol；2-Dimethylaminomethyl-4-tert-butyl-phenol；2-Dimethylaminomethyl-4-tert.-butylphenol；4-tert.Butyl-2-dimethylaminomethyl-phenol；Phenol, 2-((dimethylamino)methyl)-4-(1,1-dimethylethyl)-；4-tert-butyl-2-[(dimethylamino)methyl]phenol
• CAS: 97-43-8
• 化学式: C₁₃H₂₁NO
• 分子量: 207.316
• InChiKey: AOLMGCHTFOOEDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 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：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[(二甲基氨基)甲基]-4-(1,1-二甲基乙基)苯酚 在 双氧水 、 丙酮 作用下， 生成 N,N-二甲基-(5-叔丁基-2-羟基苄基)胺N-氧化物
  参考文献：
  名称：

  Oxides of phenolic amines

  摘要：

  公开号：

  US02220835A1
• 作为产物：
  描述：

  聚合甲醛 、 4-叔丁基苯酚 、 二甲胺 以 甲醇 、 水 为溶剂， 反应 24.0h， 以91%的产率得到2-[(二甲基氨基)甲基]-4-(1,1-二甲基乙基)苯酚
  参考文献：
  名称：

  Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes

  摘要：

  一系列不对称的异二聚体锌配合物已经通过构象灵活的手性/非手性同二聚体之间的直接反应合成。

  DOI：

  10.1039/c5dt03883a

文献信息

• Verfahren zur Herstellung von Hydroxyphenylessigsäureamiden
  申请人：BASF Aktiengesellschaft

  公开号：EP0153476A1

  公开（公告）日：1985-09-04

  Verfahren zur Herstellung von Hydroxyphenylessigsäureamiden durch Umsetzung von N-disubstituierten Aminomethylphenolen mit Kohlenmonoxid in Gegenwart von Metallcarbonylen bei einer Temperatur von 60 bis 200°C und einem Druck von 50 bis 500 bar. Die nach dem Verfahren der Erfindung erhältlichen Hydroxyphenylessigsäureamide sind wertvolle Ausgangsstoffe für die Herstellung von Pflanzenschutzmitteln, Farbstoffen und Pharmazeutika.

  通过 N-二取代氨甲基苯酚与一氧化碳在金属羰基存在下在 60 至 200°C 温度和 50 至 500 巴压力下反应制备羟基苯乙酸酰胺的工艺。 通过本发明工艺获得的羟基苯乙酸酰胺是制备植物保护剂、染料和药物的重要起始原料。
• Reactions of Isopropyl Methylphosphonofluoridate with Substituted Phenols. II
  作者：Joseph. Epstein、Harry O. Michel、David H. Rosenblatt、Robert E. Plapinger、Ralph A. Stephani、Edward. Cook

  DOI：10.1021/ja01076a043

  日期：1964.11
• Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes:  Electronic Effect of Meta and Para Substituents on the Vanadium Center
  作者：Henk Hagen、Antonio Barbon、Ernst E. van Faassen、Bert T. G. Lutz、Jaap Boersma、Anthony L. Spek、Gerard van Koten

  DOI：10.1021/ic9901564

  日期：1999.9.1

  A series of O,N-chelated vanadium(IV) oxo bis(phenolate) complexes (1a-i) have been prepared from [VOCl2(THF)(2)] and several ortho-amino-functionalized phenols in the presence of a base. The intermediates in the synthesis of these compounds are mono(phenolato)vanadate complexes, as was shown by the reaction of [VOCl2(THF)(2)] with 1 equiv of HOC6H2(CH2NMe2)(2)-2,6-Me-4 in the absence of base. This yielded [VOCl2(OC6H2(CH2NMe2)2-Me-4-(CH2NHMe2)-6)] (2), in which the second amine function acts as an internal base, assisting in binding the formed equivalent of HCl. Complex 2 exists in the solid state as the dichlorovanadate(IV) species with the protonated amine function forming a three-centered intramolecular hydrogen bridge in which both a chloride atom and the oxygen atom of the phenolate ligand participate. EPR, UV-vis, and cyclic voltammetry analysis of the complexes with meta or para substituents (1a-g) on the aryloxy ring showed the hyperfine coupling constant, the HOMO-LUMO transition, and the oxidation potential, respectively, to be linearly related to the Hammett sigma constants of the substituents on the monoanionic aryloxy ring. The oxidation potential shows a large dependence (dE(ox)/d sigma = 170 mV (per phenoxy ligand)) on the Hammett constant. Crystal data: 1a, orthorombic, Pbca, a = 9.4321(7) Angstrom, b = 14.1919(14) Angstrom, c = 26.5484(14) Angstrom, V = 3553.8(5), Angstrom(3), Z = 8; 2, monoclinic, C2/c, a = 17.9977(15) Angstrom, b = 15.7445(9) Angstrom, c = 14.4986(6) Angstrom, beta = 113.206(5)degrees, V = 3776.0(4) Angstrom(3), Z = 4.
• Efficient One-Pot Synthesis of Propargylamines from Mannich Bases through a Retro-Mannich-Type Fragmentation
  作者：Yunyang Wei、Yefeng Zhu、Huishuang Zhao

  DOI：10.1055/s-0032-1316862

  日期：——

  An efficient one-pot synthesis of propargylamines is achieved by copper-catalyzed coupling of phenylacetylenes with Mannich bases through a chlorine(1+) or bromine(1+) ion-initiated retro-Mannich-type fragmentation under mild conditions. The Mannich bases are easily prepared from an electron-rich phenol, formaldehyde, and an amine. The protocol provides an appealing alternative for the construction of propargylamines by a simple one-pot procedure.
• Pesticidal compositions comprising dimethyl carbamates of dimethyl amino and hetero-substituted methyl phenols and method of using same
  申请人：FITCH HOWARD M

  公开号：US02843519A1

  公开（公告）日：1958-07-15