2,6-bis(aminomethyl)-p-cresol

• 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: 2,6-bis(aminomethyl)-p-cresol
• 英文别名: 2,6-bis(bromomethyl)-p-cresol；2,6-Bis(aminomethyl)-4-methylphenol
• 化学式: C₉H₁₄N₂O
• 分子量: 166.223
• InChiKey: WFUYUPBXEWUWNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吡啶-2,6-二甲醛 、 2,6-bis(aminomethyl)-p-cresol 在 sodium tetrahydroborate 作用下， 生成 15,31-dimethyl-3,11,19,27,33,35-hexaazapentacyclo[27.3.1.1.^5,91.^21,25]-hexatriaconta-5,7,9(33),13,15,17(34),21,23,25(35),29,31,1(36)-dodecaene-34,36-diol
  参考文献：
  名称：

  Wang, Zheng; Martell, Arthur E.; Motekaitis, Ramunas J., Journal of the Chemical Society, Dalton Transactions, 1999, # 15, p. 2441 - 2449

  摘要：

  DOI：

文献信息

• Enantioselective Friedel–Crafts Alkylation of Pyrrole with Chalcones Catalyzed by a Dinuclear Zinc Catalyst
  作者：Yuan-Zhao Hua、Xing-Wang Han、Xiao-Chao Yang、Xixi Song、Min-Can Wang、Jun-Biao Chang

  DOI：10.1021/jo5023712

  日期：2014.12.5

  A highly enantioselective Friedel–Crafts (F–C) alkylation of pyrrole with a wide range of simple nonchelating chalcone derivatives catalyzed by a chiral (Zn2EtL)n (L = (S,S)-1) complex has been developed. The catalyst (Zn2EtL)n complex was prepared in situ by reacting the chiral ligand (S,S)-1 with 2 equiv of diethylzinc. A series of β-pyrrole-substituted dihydrochalcones were usually formed mostly

  具有宽范围由手性（锌催化的简单nonchelating查耳酮衍生物的吡咯的对映体选择性高的Friedel-Crafts（F-C）烷基化2 ETL）Ñ（L =（S，S） - 1）复合物已被开发出来。通过使手性配体（S，S）-1与2当量的二乙基锌反应原位制备催化剂（Zn 2 EtL）n配合物。通过在温和条件下使用15 mol％的催化剂，通常以极好的收率（最高达99％）和出色的对映选择性（最高达99％对映体过量（ee））形成一系列β-吡咯取代的二氢查耳酮。产品的绝对立体化学确定为X射线晶体学分析13g为S构型。同时，观察到微弱的负非线性效应。根据实验结果和以前的报道，提出了一种可能的机制来解释不对称感应的起源。
• Crystal structures of a tetranucleating macrocycle and its dimanganese(III) derivative, and magnetism of the latter
  作者：Alison J. Edwards、Bernard F. Hoskins、Richard Robson、Jenny C. Wilson、Boujemaa Moubaraki、Keith S. Murray

  DOI：10.1039/dt9940001837

  日期：——

  Condensation of 2,6-bis(aminomethyl)-4-methylphenol with 2,6-diformyl-4-methylphenol gave a macrocyclic tetra-Schiff base containing two of each component as the dihydrochloride salt H-4L.2HCl, which has been studied by X-ray crystallography [triclinic, space group P1BAR (no. 2), a = 8.809(1), b = 9.268(2), c = 10.286(3) angstrom, alpha = 89.93(2), beta = 84.70(2), gamma = 72.18(2)degrees; at convergence R = 0.067 and R' = 0.060 for 982 reflections with I greater-than-or-equal-to 2.5sigma(I)]. The outstanding feature of the structure is that despite the overall dipositive charge resulting from protonation, the dialdehyde-derived oxygens are present as phenoxide anions. Crystals of composition [Mn2(H2L)(mu-O2CMe)(mu-OH)(MeOH)2][ClO4]2.2MeOH obtained from condensation of the dialdehyde and the diamine in the presence of Mn2+ and dioxygen were also studied by X-ray diffraction [monoclinic, space group C2/c (no. 15), a = 26.673(3), b = 11.069(3), c = 21.185(3) angstrom, beta = 127.44(1)degrees; at convergence R = 0.061 and R' = 0.061 for 2102 reflections with I greater-than-or-equal-to 3sigma(I)]. The two equivalent manganese centres have tetragonally distorted six coordinate ligand environments consistent with the high-spin d4 configuration of the +III oxidation state, which is confirmed by the magnetic properties. The magnetic moment per Mn is 4.61 mu(B) at room temperature falling to 1.8 mu(B) at 10 K indicative of weak antiferromagnetic coupling with best-fit parameters obtained using a -2JS1.S2. Heisenberg model of g = 1.99(0.01), J = -4.0(0.1 ) cm-1 and % monomer = 2.3(0.3).
• Reaction of Lys-Tyr-Lys Triad Mimics with Benzylpenicillin: Insight into the Role of Tyr150 in Class C β-Lactamase
  作者：Yoko Kato-Toma、Masaji Ishiguro

  DOI：10.1016/s0960-894x(01)00168-8

  日期：2001.5

  Small and simple molecules mimicking a Lys-Tyr-Lys triad and some 'mutant' derivatives were designed and synthesized. These compounds react with benzypenicillin in water (75 mM phosphate buffer, pH 7), apparently through general base assistance by the phenolic moiety. Class C beta -lactamase has a Lys-Tyr-Lys triad in its active site, and our finding gives some insight into the role of this triad in the enzymatic beta -lactam hydrolysis mechanism. (C) 2001 Elsevier Science Ltd. All rights reserved.
• [EN] PHENOLIC EPOXY COMPOUNDS<br/>[FR] COMPOSÉS ÉPOXY PHÉNOLIQUES
  申请人：EMPIRE TECHNOLOGY DEV LLC

  公开号：WO2014126626A1

  公开（公告）日：2014-08-21

  Disclosed herein are compositions and methods of making phenolic compounds, and resins comprising these phenolic compounds. Th compounds include multifunctional epoxies, amino glycidyl derivatives, and multi-functional amines prepared from hydroxy methyl derivatives of phenols and bisphenols. An important part of many manufacturing operations is the joining of structures that are separately prepared into larger pieces, which may themselves be joined to other structures or may be the final assembled parts. Joinin of structures is a critical operation because subsequent failures may occur at the locations where structures are joined or because ther may be special requirements to be met at the interface between two structures.