N-(2-Methyl-benzyl)-benzamide

Base Information

• Chemical Name: N-(2-Methyl-benzyl)-benzamide
• CAS No.: 125552-98-9
• Molecular Formula: C15H15NO
• Molecular Weight: 225.29
• DSSTox Substance ID: DTXSID40355026
• Nikkaji Number: J1.267.563A
• Wikidata: Q82133613
• ChEMBL ID: CHEMBL1360894
• Mol file: 125552-98-9.mol

Synonyms:N-(2-Methyl-benzyl)-benzamide;N-(2-methylbenzyl)benzamide;125552-98-9;N-[(2-methylphenyl)methyl]benzamide;SMR000116852;CBMicro_012772;Cambridge id 6073893;MLS000526378;SCHEMBL4521046;CHEMBL1360894;DTXSID40355026;HMS2503I18;SMSF0013290;STL120776;AKOS000596905;CB15991;BIM-0012607.P001

Chemical Property of N-(2-Methyl-benzyl)-benzamide

Chemical Property:

• XLogP3: 3.1
• 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:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2

Technology Process of N-(2-Methyl-benzyl)-benzamide

There total 14 articles about N-(2-Methyl-benzyl)-benzamide 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: 94.0%

benzonitrile (100-47-0) + 2-methylbenzyl bromide (89-92-9) → Ν-(2-methylbenzyl)benzamide (125552-98-9)

Guidance literature:

With zinc perchlorate; In neat (no solvent); at 80 ℃; for 3h;

DOI:10.3184/174751918X15323343112324

Reference yield: 91.0%

2-methyl-benzyl alcohol (89-95-2) + benzamide (55-21-0,27208-38-4) → Ν-(2-methylbenzyl)benzamide (125552-98-9)

Guidance literature:

With C₂₃H₂₄ClIrN₃OS⁽¹⁺⁾*F₆P^(1-); caesium carbonate; In toluene; at 120 ℃;

DOI:10.1016/j.cclet.2019.08.049

Reference yield: 91.0%

2-methylchlorobenzene (95-49-8) + potassium N-(trifluoroboratomethyl)benzamide → Ν-(2-methylbenzyl)benzamide (125552-98-9)

Guidance literature:

With palladium diacetate; caesium carbonate; XPhos; In cyclopentyl methyl ether; water; at 85 ℃; for 6h; Inert atmosphere;

DOI:10.1021/ol102039c

upstream raw materials:

ortho-methylbenzylamine

benzoyl chloride

2-methyl-benzyl alcohol

benzonitrile

Downstream raw materials:

isoindolin-2-yl(phenyl)methanone