3-methoxysalicylamine hydrochloride | 141803-91-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-methoxysalicylamine hydrochloride
• 英文别名: 2-hydroxy-3-methoxyphenylmethanamine hydrochloride；2-aminomethyl-6-methoxy-phenol; hydrochloride；2-(Aminomethyl)-6-methoxyphenol hydrochloride；2-(aminomethyl)-6-methoxyphenol;hydrochloride
• CAS: 141803-91-0
• 化学式: C₈H₁₁NO₂*ClH
• mdl: MFCD00465363
• 分子量: 189.642
• InChiKey: CVQJWPMYEYQEDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.22
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.5
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  3-methoxysalicylamine hydrochloride 、 邻香草醛 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 4.5h， 以93%的产率得到2-(((2-hydroxy-3-methoxybenzyl)imino)methyl)-6-methoxyphenol
  参考文献：
  名称：

  自组装八核[Ni5Ln3]（Ln = Dy，Tb和Ho）络合物：合成，配位诱导的配体水解，结构和磁性。

  摘要：

  2-{[（（2-羟基-3-甲氧基苄基）亚氨基]甲基} -6-甲氧基苯酚（H 2 L）及其水解同类物对NiCl 2 ·6H 2 O和Ln III硝酸盐的可变配位行为提供了一个家族含有[Ni 5 Ln 3 ]八核核心结构的配位聚集体的制备。在MeOH-CHCl3洗脱室温反应3中，在净的存在3得到同构[倪5 LN 3（L）4（μ-OH）2（μ 3 -OH）6（Ô -Val）2（H 2O）6 ] NO 3 ·7H 2 O（Ln = Dy 3+（1），Tb 3+（2）和Ho 3+（3；o -val = o-香兰素）杂金属配合物。通过利用酚盐基配体阴离子，所有三个络合物均具有八核融合的部分六氢呋喃拓扑结构，可剪切五个3d和三个4f离子。直流磁化率测量结果显示，配合物1和2在低温下呈高潮，表明铁磁相互作用，而对于配合物3反铁磁交换相互作用居多。交流磁化率测量结果无法显示出任何缓慢的磁化弛豫特性。配合物1的CASSCF计算表明，所有三个Dy

  DOI：

  10.1039/d0dt01675f
• 作为产物：
  描述：

  2-羟基-3-甲氧基苯甲醛 肟 在 盐酸 、 锌 作用下， 生成 3-methoxysalicylamine hydrochloride
  参考文献：
  名称：

  自组装八核[Ni5Ln3]（Ln = Dy，Tb和Ho）络合物：合成，配位诱导的配体水解，结构和磁性。

  摘要：

  2-{[（（2-羟基-3-甲氧基苄基）亚氨基]甲基} -6-甲氧基苯酚（H 2 L）及其水解同类物对NiCl 2 ·6H 2 O和Ln III硝酸盐的可变配位行为提供了一个家族含有[Ni 5 Ln 3 ]八核核心结构的配位聚集体的制备。在MeOH-CHCl3洗脱室温反应3中，在净的存在3得到同构[倪5 LN 3（L）4（μ-OH）2（μ 3 -OH）6（Ô -Val）2（H 2O）6 ] NO 3 ·7H 2 O（Ln = Dy 3+（1），Tb 3+（2）和Ho 3+（3；o -val = o-香兰素）杂金属配合物。通过利用酚盐基配体阴离子，所有三个络合物均具有八核融合的部分六氢呋喃拓扑结构，可剪切五个3d和三个4f离子。直流磁化率测量结果显示，配合物1和2在低温下呈高潮，表明铁磁相互作用，而对于配合物3反铁磁交换相互作用居多。交流磁化率测量结果无法显示出任何缓慢的磁化弛豫特性。配合物1的CASSCF计算表明，所有三个Dy

  DOI：

  10.1039/d0dt01675f

文献信息

• Comparison of different reducing systems in the synthesis of functionally substituted benzylamines from alkyl aryl ketones and aromatic aldehydes
  作者：D. M. Musatov、E. V. Starodubtseva、O. V. Turova、D. V. Kurilov、M. G. Vinogradov、A. K. Rakishev、M. I. Struchkova

  DOI：10.1134/s1070428010070110

  日期：2010.7

  Different synthetic approaches to functionally substituted benzylamines were examined: reductive amination of alkyl aryl ketones and reduction of aromatic aldehyde oximes. The most efficient procedures were used to prepare a series of previously unknown hydroxy-, alkoxy-, and halogen-substituted benzylamines.

  研究了功能性取代的苄胺的不同合成方法：烷基芳基酮的还原胺化和芳族醛肟的还原。最有效的方法用于制备一系列先前未知的羟基，烷氧基和卤素取代的苄胺。
• Characterization of Scavengers of γ-Ketoaldehydes That Do Not Inhibit Prostaglandin Biosynthesis
  作者：Irene Zagol-Ikapitte、Venkataraman Amarnath、Manju Bala、L. Jackson Roberts、John A. Oates、Olivier Boutaud

  DOI：10.1021/tx900407a

  日期：2010.1.18

  Expression Of cyclooxygenase-2 (COX-2) is associated with the development of many pathologic conditions. The product of COX-2, prostaglandin H(2) (PGH(2)), can spontaneously rearrange to form reactive gamma-ketoaldehydes called levuglandins (LGs). This gamma-keloaldehyde structure confers a high degree of reactivity on the LGs, which rapidly form covalent adducts with primary amines of protein residues. Formation of LG adducts of proteins has been demonstrated in pathologic conditions (e.g., increased levels in the hippocampus in Alzheimer's disease) and during physiologic function (platelet activation). On the basis of knowledge that lipid modification of proteins is known to cause their translocation and to alter their function. we hypothesize that modification of proteins by LG could have functional consequences. Testing this hypothesis requires an experimental approach that discriminates between the effects of protein modification by LG and the, effects of cyclooxygenase-derived prostanoids acting through their G-protein Coupled receptors. TO achieve this goal, we have synthesized and evaluated it series of scavengers that react with LG with a potency More than 2 orders of magnitude greater than that with the epsilon-amine of lysine. A Subset of these scavengers are shown to block the formation of LG adducts of proteins in cells without inhibiting the catalytic activity of the cyclooxygenases. Ten of these selective scavengers did not produce cytotoxicity. These results demonstrate that small molecules can scavenge LGs in cells without interfering with the formation of prostaglandins. They also provide a working hypothesis for the development of pharmacologic agents that could be used in experimental animals in vivo to assess the pathophysiological contribution of levuglandins in diseases associated with cyclooxygenase up-regulation.
• Self-assembled octanuclear [Ni₅Ln₃] (Ln = Dy, Tb and Ho) complexes: synthesis, coordination induced ligand hydrolysis, structure and magnetism
  作者：Avik Bhanja、Eufemio Moreno-Pineda、Radovan Herchel、Wolfgang Wernsdorfer、Debashis Ray

  DOI：10.1039/d0dt01675f

  日期：——

  The variable coordination behavior of 2-[(2-hydroxy-3-methoxybenzyl)imino]methyl}-6-methoxyphenol (H2L) and its hydrolyzed congener towards NiCl2·6H2O and LnIII nitrate salts provides a family of coordination aggregates containing an [Ni5Ln3] octanuclear core structure. Room temperature reactions in MeOH−CHCl3 medium and in the presence of NEt3 yielded isostructural [Ni5Ln3(L)4(μ-OH)2(μ3-OH)6(o-val)2(H2O)6]NO3·7H2O

  2-[（（2-羟基-3-甲氧基苄基）亚氨基]甲基} -6-甲氧基苯酚（H 2 L）及其水解同类物对NiCl 2 ·6H 2 O和Ln III硝酸盐的可变配位行为提供了一个家族含有[Ni 5 Ln 3 ]八核核心结构的配位聚集体的制备。在MeOH-CHCl3洗脱室温反应3中，在净的存在3得到同构[倪5 LN 3（L）4（μ-OH）2（μ 3 -OH）6（Ô -Val）2（H 2O）6 ] NO 3 ·7H 2 O（Ln = Dy 3+（1），Tb 3+（2）和Ho 3+（3；o -val = o-香兰素）杂金属配合物。通过利用酚盐基配体阴离子，所有三个络合物均具有八核融合的部分六氢呋喃拓扑结构，可剪切五个3d和三个4f离子。直流磁化率测量结果显示，配合物1和2在低温下呈高潮，表明铁磁相互作用，而对于配合物3反铁磁交换相互作用居多。交流磁化率测量结果无法显示出任何缓慢的磁化弛豫特性。配合物1的CASSCF计算表明，所有三个Dy