N-(1-morpholin-4-yl-1-benzyl)acetamide | 37733-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-(1-morpholin-4-yl-1-benzyl)acetamide
• 英文别名: N-[morpholino(phenyl)methyl]acetamide；N-(1-morpholinobenzyl)acetamide；N-[1-morpholinobenzyl]acetamide；morpholinobenzyl acetamide；MBA；N-(morpholin-4-yl-phenyl-methyl)-acetamide；N-[morpholin-4-yl(phenyl)methyl]acetamide
• CAS: 37733-80-5
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: LMMMOBNNWPVEGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  168 °C(Solv: ethanol (64-17-5))
• 沸点：
  414.3±45.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氨基安替比林 、 N-(1-morpholin-4-yl-1-benzyl)acetamide 以 乙醇 为溶剂， 反应 2.0h， 以68%的产率得到N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(morpholin-4-yl-phenyl-methyl)-acetamidine
  参考文献：
  名称：

  Raman; Ravichandran, Polish Journal of Chemistry, 2005, vol. 79, # 7, p. 1107 - 1114

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酰胺 、 4,4'-苯亚甲基二吗啉 反应 0.12h， 以56%的产率得到N-(1-morpholin-4-yl-1-benzyl)acetamide
  参考文献：
  名称：

  Solvent-free synthesis of monoacylaminals from the reaction of amides and aminals as precursors in carbinolamide synthesis

  摘要：

  A solvent-free method of generating monoacylaminals by heating the amide and aminal starting materials in the presence of one another has been developed. Yields were generally between 45% and 65% with the monoacylaminal being isolated, needing no further purification after drying under high vacuum. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.043

文献信息

• [EN] ANTIMICROBIAL AGENTS<br/>[FR] AGENTS ANTI-MICROBIENS
  申请人：UNIV RUTGERS

  公开号：WO2013142712A1

  公开（公告）日：2013-09-26

  The invention provides compounds of formual (I): wherein R1-R7 and W have any of the values defined in the specification, and salts thereof. The compounds have good solubility and are useful for treating bacterial infections.

  该发明提供了式(I)的化合物：其中R1-R7和W具有规范中定义的任何值，以及其盐。这些化合物具有良好的溶解性，并可用于治疗细菌感染。
• Synthesis, Characterization and Antimicrobial Studies of a New Mannich Base<i>N</i>-[Morpholino(phenyl)methyl]acetamide and Its Cobalt(II), Nickel(II) and Copper(II) Metal Complexes
  作者：L. Muruganandam、K. Krishnakumar

  DOI：10.1155/2012/767941

  日期：——

  A new Mannich baseN-[morpholino(phenyl)methyl]acetamide (MBA), was synthesized and characterized by spectral studies. Chelates of MBA with cobalt(II), nickel(II) and copper(II) ions were prepared and characterized by elemental analyses, IR and UV spectral studies. MBA was found to act as a bidentate ligand, bonding through the carbonyl oxygen of acetamide group and CNC nitrogen of morpholine moiety in all the complexes. Based on the magnetic moment values and UV-Visible spectral data, tetracoordinate geometry for nitrato complexes and hexacoordinate geometry for sulphato complexes were assigned. The antimicrobial studies show that the Co(II) nitrato complex is more active than the other complexes.

  一种新的Mannich碱N-[吗啡啉(苯基)甲基]乙酰胺(MBA)已合成并通过光谱研究进行了表征。MBA与钴(II)，镍(II)和铜(II)离子形成的螯合物经元素分析、红外光谱和紫外光谱研究进行了表征。在所有配合物中，MBA被发现作为一个双齿配体，通过乙酰胺基的羰基氧和吗啡啉部分的CNC氮进行配位。根据磁矩值和紫外可见光谱数据，为硝酸盐配合物指定了四配位几何结构，为硫酸盐配合物指定了六配位几何结构。抗微生物研究表明，Co(II)硝酸盐配合物比其他配合物更活性。
• Peroxo complexes of uranium(VI) containing nitrogen and oxygen donor ligands
  作者：Balgar Singh、Simpy Mahajan、H. N. Sheikh、Mohita Sharma、Bansi Lal Kalsotra

  DOI：10.1134/s003602361208013x

  日期：2012.8

  The uranium(VI) peroxo complexes containing Mannich base ligands having composition [UO(O-2)L-L(NO3)(2)] where L-L = morpholinobenzyl acetamide (MBA), piperidinobenzyl acetamide (PBA), morpholinobenzyl benzamide (MBB), piperidinobenzyl benzamide (PBB), morpholinomethyl benzamide (MMB), piperidinomethyl benzamide (PMB), morpholinobenzyl formamide (MBF)}, piperidinobenzyl formamide (PBF) are reported. In a typical reaction UO2(NO3)(2) center dot 6H(2)O (1 mmol, 0.502 g) was dissolved in methanol. An equimolar (1 mmol) methanolic solution (30 mL) of the ligand (Mannich bases) was added to a solution of uranyl nitrate followed by addition of potassium hydroxide (KOH) (2 mmol, 0.1122 g). The solution was refluxed for 15 min and then 10 mL of 30% hydrogen peroxide (H2O2) was added dropwise and was refluxed for an additional 1 h. The synthesized complexes have been characterized by various physico-chemical techniques, viz. elemental analysis, molar conductivity, magnetic susceptibility measurements, infra red, electronic, mass spectral and TGA/DTA studies. These studies revealed that the synthesized complexes are non-electrolytic and diamagnetic in nature. The ligands are bound to metal in a bidentate mode through carbonyl oxygen and the ring nitrogen. Thermal analysis result provides conclusive evidence for the absence of water molecule in the complexes. Mass spectra confirm the molecular mass of the complexes. Antibacterial activity of complexes revealed enhanced activity of complexes as compared to corresponding free ligands. Molecular modeling suggests pentagonal bipyramidal structure for complexes.
• FLOCH Y. LE; PLUSQUELLEC D.; SOYER N.; KERFANTO M., BULL. SOC. CHIM. FRANCE, PART 2, 1979, NO 7-8, 409-414
  作者：FLOCH Y. LE、 PLUSQUELLEC D.、 SOYER N.、 KERFANTO M.

  DOI：——

  日期：——
• ANTIMICROBIAL AGENTS
  申请人：Rutgers, the State University of New Jersey

  公开号：US20150031694A1

  公开（公告）日：2015-01-29

  The invention provides compounds of formula (I): wherein R 1 -R 7 and W have any of the values defined in the specification, and salts thereof. The compounds have good solubility and are useful for treating bacterial infections.

表征谱图