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613-93-4,MFCD00011642
Catalog No.:AA003T4D

613-93-4 | N-Methylbenzamide

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1g
97%
in stock  
$7.00   $5.00
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5g
97%
in stock  
$22.00   $15.00
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10g
97%
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$42.00   $29.00
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25g
97%
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$101.00   $71.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003T4D
Chemical Name:
N-Methylbenzamide
CAS Number:
613-93-4
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD00011642
SMILES:
CNC(=O)c1ccccc1
NSC Number:
42944
Properties
Properties
 
BP:
307.5°C at 760 mmHg  
Form:
Solid  
MP:
76-78 °C(lit.)  
Refractive Index:
1.5589 (estimate)  
Solubility:
ethanol: soluble50mg/mL, clear, yellow-green  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
116  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Katritzky;Wu;Xie[SyntheticCommunications,1995,vol.25,#8,p.1187-1196]

[2]Couture;Deniau;Grandclaudon[SyntheticCommunications,1992,vol.22,#16,p.2381-2392]Couture,Axel;Deniau,Eric;Grandclaudon,Pierre[TetrahedronLetters,1993,vol.34,#9,p.1479-1482]

Literature

Title: 3D-QSAR studies on CCR2B receptor antagonists: Insight into the structural requirements of (R)-3-aminopyrrolidine series of molecules based on CoMFA/CoMSIA models.

Journal: Journal of pharmacy & bioallied sciences 20120101

Title: A functionalized enol lactone containing a protected α-amino acid.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist.

Journal: Bioorganic & medicinal chemistry letters 20090915

Title: Study of the Beckmann rearrangement of acetophenone oxime over porous solids by means of solid state NMR spectroscopy.

Journal: Physical chemistry chemical physics : PCCP 20090707

Title: DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening.

Journal: BMC chemical biology 20090101

Title: Selective sigma-2 ligands preferentially bind to pancreatic adenocarcinomas: applications in diagnostic imaging and therapy.

Journal: Molecular cancer 20070101

Title: Field evaluation of deet, Repel Care, and three plant based essential oil repellents against mosquitoes, black flies (Diptera: Simuliidae) and land leeches (Arhynchobdellida: Haemadipsidae) in Thailand.

Journal: Journal of the American Mosquito Control Association 20060601

Title: Reactions of (benzamidomethyl)triethylammonium chloride with some inorganic nucleophiles in aqueous media.

Journal: Molecules (Basel, Switzerland) 20060410

Title: Predictive relationships for the effects of triglyceride ester concentration and water uptake on solubility and partitioning of small molecules into lipid vehicles.

Journal: Journal of pharmaceutical sciences 20041101

Title: Nucleophilic addition to 3-substituted pyridinium salts: expedient syntheses of (-)-L-733,061 and (-)-CP-99,994.

Journal: Organic letters 20040930

Title: Design and synthesis of substituted N-methylbenzamide analogues derived from SR 48,968 as neurokinin-2 receptor antagonists.

Journal: Bioorganic & medicinal chemistry letters 20040920

Title: 5'-substituted-6-carboxylic-2,2'-bipyridine acid: a pivotal architecton for building preorganized ligands.

Journal: The Journal of organic chemistry 20020531

Title: Thermodynamic analysis of the binding of aromatic hydroxamic acid analogues to ferric horseradish peroxidase.

Journal: Biochemistry 20011120

Title: Kilburn JP, et al. N-Methylanilide and N-methylbenzamide derivatives as phosphodiesterase 10A (PDE10A) inhibitors. Bioorg Med Chem. 2013 Oct 1;21(19):6053-62.

Title: Gate, E. N., et al. Structural studies on bioactive compounds. 4. A structure-antitumor activity study on analogs of N-methylformamide. Journal of Medicinal Chemistry, 1986, 29(6), 1046–1052.

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