H-Sal-N-Et | 5961-36-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: H-Sal-N-Et
• 英文别名: 2-[(ethylimino)methyl]phenol；Phenol, 2-[(ethylimino)methyl]-；2-(ethyliminomethyl)phenol
• CAS: 5961-36-4
• 化学式: C₉H₁₁NO
• 分子量: 149.192
• InChiKey: SUCJTGMPGPJVNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  H-Sal-N-Et 在 sodium tetrahydroborate 、 三乙胺 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 2-Chloro-3-ethyl-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulfide
  参考文献：
  名称：

  Yoshikawa, Hiromichi; Ueno, Ryohei, Bioscience, Biotechnology and Biochemistry, 1992, vol. 56, # 9, p. 1467 - 1469

  摘要：

  DOI：
• 作为产物：
  描述：

  乙胺盐酸盐 、 水杨醛 在 magnesium sulfate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 H-Sal-N-Et
  参考文献：
  名称：

  Yamada, Naotaka; Kuwano, Eiichi; Kikuchi, Masamichi, Bioscience, Biotechnology and Biochemistry, 1992, vol. 56, # 12, p. 1943 - 1948

  摘要：

  DOI：

文献信息

• The coordination chemistry of molybdenum and tungsten. Part XVI. Oxomolybdenum(V) and oxotungsten(V) complexes containing neutral monodentate and anionic bidentate Schiff base ligands
  作者：C.A. Rice、C.G. Benson、C.A. McAuliffe、W.E. Hill

  DOI：10.1016/s0020-1693(00)87304-1

  日期：1982.1

  ligands with phenolic, imine and various side chain donors yields complexes of type [MOCl3(ligand)2] in which the ligand generally binds as a neutral monodentate imine donor. Electron spin resonance spectra suggest that these complexes have a cis-mer structure. These complexes are not converted to the bidentate anionic ligand complexes [MoOCl(L)2] by refluxing in alcohols, but the latter may be prepared

  MoCl3（THF）2（M = Mo，W）与一系列席夫碱配体与酚，亚胺和各种侧链供体的反应产生[MOCl3（ligand）2]型复合物，其中配体通常以中性键结合亚齿亚胺供体。电子自旋共振谱表明这些配合物具有顺式结构。这些络合物不能通过在醇中回流而转化为二齿阴离子配体络合物[MoOCl（L）2]，但是后者可以由MoOCl3（THF）2和配体的锂盐制备。[MoOCl3（配体）]（〜1.934）的g值在[MoOCl（L）2]（〜1.945）[1]中有显着变化。
• Structure and Solution Equilibrium of N-Salicylidene-amino-sugars and Amino-alcohols.
  作者：Shigeharu Inouye

  DOI：10.1248/cpb.15.1540

  日期：——

  The structures and solution equilibria of twenty members of N-salicylidene-amino-sugars and -amino-alcohols were examined mainly in methanol, water and solid state. As the modeled compounds were examined simultaneously three members of N-salicylidene-alkylamines and eight members belonged to the o-methoxybenzylidene, 3-methoxysalicylidene, 3, 5-dibromosalicylidene and 2-hydroxynaphthylidene derivatives. From the comparative studies on the electronic, infrared, NMR spectra and equilibrium position, it was shown that the solution equilibrium consisted of the phenolimine and the ketoamine species, the latter being stabilized by the intra- and intermolecular hydrogen bonding involving the alcoholic hydroxyl groups and protic solvents. The acid-base equilibria of the two tautomers in methanol and the ketoamine-ion-pair equilibrium in water were discussed.

  二十种N-水杨醛基氨基糖和氨基醇的结构及溶液平衡主要在甲醇、水和固态下进行了研究。由于所建模的化合物是同时考察的，因此其中包括三种N-水杨醛基烷基胺和八种属于o-甲氧基苯亚甲基、3-甲氧基水杨醛基、3,5-二溴水杨醛基和2-羟基萘亚甲基衍生物。从电子、红外、核磁共振谱及平衡位置的比较研究中显示，溶液平衡由酚亚胺和酮胺物种组成，后者通过涉及醇羟基和质子溶剂的分子内和分子间氢键得以稳定。讨论了甲醇中两个互变异构体的酸碱平衡以及水中酮胺离子对的平衡。
• Complexes of thorium(IV) and uranium(IV) with some Schiff bases
  作者：R.J. Hill、C.E.F. Rickard

  DOI：10.1016/0022-1902(78)80153-5

  日期：1978.1

  Complexes of thorium(IV) and uranium(IV) with Schiff bases derived from salicylaldehyde have been prepared and characterised. The metal tetrachlorides react directly with quadridentate Schiff bases in ethanol to yield the complexes but bidentate Schiff bases yield hydrolysed products under the same conditions. Complexes of the bidentate Schiff bases are obtained by reaction of ligand with metal tetraacetate

  prepared（IV）和铀（IV）与衍生自水杨醛的席夫碱的配合物已经制备并表征。四氯化金属与乙醇中的四齿席夫碱直接反应生成配合物，而双齿席夫碱在相同条件下生成水解产物。通过使配体与四乙酸金属盐在熔体中反应或通过与ligand-席夫碱配合物交换来获得二齿席夫碱的配合物。报告了吸收光谱并讨论了谱带分配。
• Central Cholinergic Agents. I. Potent Acethlcholinesterase Inhibitors, 2-(.OMEGA.-(N-Alkyl-N-(.OMEGA.-phenyl-alkyl)amino)alkyl)-1H-isoindole-1,3(2H)-diones, Based on a New Hypothesis of the Enzyme's Active Site.
  作者：Yuji ISHIHARA、Koki KATO、Giichi GOTO

  DOI：10.1248/cpb.39.3225

  日期：——

  It has been suggested that the active site of acetylcholinesterase contains a hydrophobic binding site (HBS-1), which is closely adjacent to both the anionic and the esteratic sites. In this paper, we assumed that there exists another hydrophobic binding site (HBS-2), some distance removed from the anionic site. On this assumption, a new working hypothesis was proposed for the design of acetylcholinesterase inhibitors. A series of 2-[ω-[N-alkyl-N-(ω-phenyl-alkyl)amino]alkyl]-1H-isoindole-1, 3(2H)-diones was designed based on this hypothesis and tested for its inhibitory activities on acetylcholinesterase. Some in this series were revealed to be more potent than physostigmine. Optimum activity was found to be associated with a five carbon chain length separating the benzylamino group from the 1H-isoindole-1, 3(2H)-dione (phthalimide) moiety. Quantitative study of substitution effect on the phthalimide moiety revealed that hydrophilic and electron-withdrawing groups enhance the activity.

  有人提出，乙酰胆碱酯酶的活性部位包含一个疏水性结合位点(HBS-1)，该位点紧邻阴离子位点和酯酶位点。本文假设存在另一个疏水性结合位点(HBS-2)，该位点与阴离子位点相距一定距离。基于此假设，我们提出了设计新型乙酰胆碱酯酶抑制剂的工作假说。依据该假说，设计了一系列2-[ω-[N-烷基-N-(ω-苯基-烷基)氨基]烷基]-1H-异吲哚-1,3(2H)-二酮，并测试了它们对乙酰胆碱酯酶的抑制活性。系列中某些化合物的抑制活性显示出比毒扁豆碱更强的效力。最佳活性与苄氨基与1H-异吲哚-1,3(2H)-二酮(邻苯二甲酰亚胺)部分之间间隔五个碳原子相关。对邻苯二甲酰亚胺部分进行取代效应的定量研究发现，亲水性和吸电子基团能提高活性。
• Schiff base complexes of organotin(IV). Reactions of trialkyltin(IV) chlorides and alkoxides with N-substituted salicylideneimines
  作者：B.S. Saraswat、G. Srivastava、R.C. Mehrotra

  DOI：10.1016/s0022-328x(00)92485-9

  日期：1977.4

  Eighteen new volatile N-substituted salicylideneiminatotrialkyltin derivatives have been synthesized by the reactions of trialkyltin chlorides or alkoxides with the corresponding Schiff bases. On the basis of infrared and proton magnetic resonance measurements, five coordination is proposed for tin in these complexes.

  通过使三烷基锡氯化物或醇盐与相应的席夫碱反应，已经合成了十八种新的挥发性N-取代的水杨基亚氨基亚氨基三烷基锡衍生物。在红外和质子磁共振测量的基础上，对这些配合物中的锡提出了五种配位方案。