2-diethylaminomethyl-4-methylphenol | 20484-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-diethylaminomethyl-4-methylphenol
• 英文别名: 2-((diethylamino)methyl)-4-methylphenol；2-[(diethylamino)methyl]-4-methylphenol；2-(diethylaminomethyl)-4-methylphenol；2-(diethylamino-methyl)-4-methyl-phenol；2-diethylaminomethyl-4-methyl-phenol；2-Diaethylaminomethyl-4-methyl-phenol
• CAS: 20484-31-5
• 化学式: C₁₂H₁₉NO
• 分子量: 193.289
• InChiKey: BPIIGTWIPYOEIV-UHFFFAOYSA-N

物化性质

• 沸点：
  90-93 °C(Press: 1-2 Torr)
• 密度：
  0.9675 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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-diethylaminomethyl-4-methylphenol 在 镍 作用下， 160.0 ℃ 、7.84 MPa 条件下， 生成 2,4-二甲基苯酚
  参考文献：
  名称：

  Schuikin et al., Vestnik Moskovskogo Universiteta, 1957, vol. 12, # 3, p. 135,138

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 对甲酚 、 二乙胺 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 15.0h， 以83%的产率得到2-diethylaminomethyl-4-methylphenol
  参考文献：
  名称：

  2-和2,6-双-(N,N-二乙基氨基甲基)-4R-苯酚中氢键的制备和核磁共振表征

  摘要：

  摘要 在氯仿-d1 溶液中制备了一系列衍生自4-取代酚的曼尼希单碱和双碱，并通过1H 和13C NMR 光谱进行了研究。曼尼希碱中分子内氢键结合的质子的化学位移取决于母体酚的 pKa。已发现哈米特常数、σp 和对位碳原子的 13C NMR 化学位移之间存在相关性。从 1H 和 13C NMR 光谱获得的所有结果表明，在二碱的情况下，OH 质子对称地桥接两个氮原子。早期的红外研究表明，质子在每个二氮氧化物分子中的两个氧原子之间振荡。然而，平均而言，该结构是对称的。

  DOI：

  10.1016/0022-2860(91)80014-u

文献信息

• 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE
  申请人：Kubota Hideki

  公开号：US20080227785A1

  公开（公告）日：2008-09-18

  This invention relates to an anti-dementia agent which uses a BEC 1 potassium channel inhibitor as the active ingredient. It was proved that the BEC 1 potassium channel inhibitor has an action to improve learning disorder and is useful as a preventive or therapeutic agent for diseases, preferably dementia, in which the BEC 1 potassium channel is considered to be concerned. Illustratively, it was confirmed by an in vivo test that the BEC 1 potassium channel inhibitor has an action to improve learning disorder. Also, it was found that a compound having 2,4,6-triamino-1,3,5-triazine has a BEC 1 potassium channel inhibitory action.

  本发明涉及一种以BEC 1钾离子通道抑制剂作为活性成分的抗痴呆剂。已经证明，BEC 1钾离子通道抑制剂具有改善学习障碍的作用，并且作为预防或治疗剂是有用的，尤其是对于BEC 1钾离子通道与之相关的疾病，如痴呆症。例如，通过体内试验证实，BEC 1钾离子通道抑制剂具有改善学习障碍的作用。此外，还发现具有2,4,6-三氨基-1,3,5-三嗪的化合物具有BEC 1钾离子通道抑制作用。
• Metallo-β-lactamase and phosphotriesterase activities of some zinc(II) complexes
  作者：Muthaiah Umayal、Govindasamy Mugesh

  DOI：10.1016/j.ica.2011.03.064

  日期：2011.6

  Metallo-beta-lactamases (m beta l) and phosphotriesterase (PTE) are zinc(II) enzymes, which hydrolyze the beta-lactam antibiotics and toxic organophosphotriesters, respectively. In the present work, we have synthesized a few asymmetric phenolate-based ligands by sequential Mannich reaction and their corresponding zinc(II) complexes. These zinc(II) complexes were studied for their m beta l and PTE activities. It is shown that the zinc(II) complexes can hydrolyze oxacillin, the beta-lactam antibiotic, at much higher rates as compared to the hydrolysis of p-nitrophenyl diphenylphosphate (PNPDPP), the phosphotriester. Among the complexes studied, the binuclear asymmetric complex 1 having a water molecule coordinated to one of the zinc(II) ions exhibits much better mbl activity than the mononuclear complexes. However, the mononuclear zinc(II) complexes having labile chloride ions exhibit significant PTE activity, which can be ascribed to the replacement of chloride ions by hydroxide ions during hydrolysis reactions. (C) 2011 Elsevier B.V. All rights reserved.
• Aminoalkylphenols as Antimalarials. I. Simply Substituted α-Aminocresols¹
  作者：J. H. Burckhalter、F. H. Tendick、Eldon M. Jones、W. F. Holcomb、A. L. Rawlins

  DOI：10.1021/ja01214a008

  日期：1946.10
• DE746578
  申请人：——

  公开号：——

  公开（公告）日：——
• Kung; Chang, Scientia Sinica (English Edition), 1959, vol. 8, p. 201,204,206
  作者：Kung、Chang

  DOI：——

  日期：——