2-benzyl-N-methylbenzamide

Base Information

• Chemical Name: 2-benzyl-N-methylbenzamide
• CAS No.: 21921-91-5
• Molecular Formula: C15H15NO
• Molecular Weight: 225.29
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90399637
• Wikidata: Q82202301
• Mol file: 21921-91-5.mol

Synonyms:2-benzyl-N-methylbenzamide;21921-91-5;Benzamide, N-methyl-2-(phenylmethyl)-;SCHEMBL3109472;DTXSID90399637;PFDZAYFQPDJTKK-UHFFFAOYSA-N;N-Methyl-2-(phenylmethyl)benzamide;N-Methyl-2-(phenylmethyl) benzamide;AKOS001313411;FT-0712417;Z30272382

Chemical Property of 2-benzyl-N-methylbenzamide

Chemical Property:

• Vapor Pressure: 2.12E-06mmHg at 25°C
• Melting Point: 102-103 °C
• Refractive Index: 1.575
• Boiling Point: 393.5 °C at 760 mmHg
• PKA: 15.00±0.46(Predicted)
• Flash Point: 237.4 °C
• PSA: 32.59000
• Density: 1.077 g/cm³
• LogP: 3.21180
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

2-BENZYL-N-METHYLBENZAMIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNC(=O)C1=CC=CC=C1CC2=CC=CC=C2

Technology Process of 2-benzyl-N-methylbenzamide

There total 4 articles about 2-benzyl-N-methylbenzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-methylbenzamide (88070-48-8) → 2-Benzyl-N-methyl-benzamid (21921-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: BuⁿLi / 1.) diethyl ether, THF, refl.; 2.) 0 deg C

2: H₂, SOCl₂, / Pd/C / 1.) rt., 18 h. 90 psi; 2.) rt., 10 min; 3.) H₂O, 0 deg C

With n-butyllithium; thionyl chloride; hydrogen; palladium on activated charcoal;

DOI:10.1039/c39870000191

Reference yield:

benzaldehyde (100-52-7) → 2-Benzyl-N-methyl-benzamid (21921-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: BuⁿLi / 1.) diethyl ether, THF, refl.; 2.) 0 deg C

2: H₂, SOCl₂, / Pd/C / 1.) rt., 18 h. 90 psi; 2.) rt., 10 min; 3.) H₂O, 0 deg C

With n-butyllithium; thionyl chloride; hydrogen; palladium on activated charcoal;

DOI:10.1039/c39870000191

Reference yield:

3-phenylphthalide (5398-11-8) + methylamine (74-89-5) → 2-Benzyl-N-methyl-benzamid (21921-91-5)

Guidance literature:

With thionyl chloride; hydrogen; palladium on activated charcoal; Yield given. Multistep reaction; 1.) rt., 18 h. 90 psi; 2.) rt., 10 min; 3.) H₂O, 0 deg C;

DOI:10.1039/c39870000191

upstream raw materials:

3-phenylphthalide

methylamine

N-methylbenzamide

benzaldehyde

Downstream raw materials:

3-hydroxy-2-methyl-3-phenyl-2,3-dihydro-isoindol-1-one

3-Hydroxy-2-methyl-4-phenyl-3,4-dihydro-2H-isoquinolin-1-one

1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinoline

2-methyl-4-phenyl-1,2,3,4-tetrahydro-1(2H)-isoquinolone

Refernces