4-methyl-N-(1-phenylethyl)benzamide

Base Information

• Chemical Name: 4-methyl-N-(1-phenylethyl)benzamide
• CAS No.: 17537-45-0
• Molecular Formula: C16H17NO
• Molecular Weight: 239.317
• DSSTox Substance ID: DTXSID60389828
• Nikkaji Number: J3.013.662D
• Mol file: 17537-45-0.mol

Synonyms:4-methyl-N-(1-phenylethyl)benzamide;17537-45-0;Benzamide, 4-methyl-N-(1-phenylethyl)-;SCHEMBL13947536;DTXSID60389828;STK031577;AKOS000344671;AKOS016331831;N-(alpha-Methylbenzyl)-4-methylbenzamide;SR-01000314776;SR-01000314776-1;BRD-A01034793-001-01-4;Z31450261

Chemical Property of 4-methyl-N-(1-phenylethyl)benzamide

Chemical Property:

• PSA: 29.10000
• LogP: 3.87690
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 239.131014166
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

4-methyl-N-(1-phenylethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC(C)C2=CC=CC=C2

Technology Process of 4-methyl-N-(1-phenylethyl)benzamide

There total 21 articles about 4-methyl-N-(1-phenylethyl)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: 99.0%

tert-butyl 2,2-diazido-3-oxo-3-(p-tolyl)propanoate + rac-methylbenzylamine (618-36-0) → N-(p-methylbenzoyl)-α-methylbenzyl amine (17537-45-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1002/ejoc.201601625

Reference yield: 90.0%

ethylbenzene (100-41-4,27536-89-6) + para-methylbenzamide (619-55-6) → N-(p-methylbenzoyl)-α-methylbenzyl amine (17537-45-0)

Guidance literature:

With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; In tetrachloromethane; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.02.060

Reference yield: 90.0%

1-Phenylethanol (98-85-1,13323-81-4) + para-methylbenzonitrile (104-85-8) → N-(p-methylbenzoyl)-α-methylbenzyl amine (17537-45-0)

Guidance literature:

With water; tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate; In neat (no solvent); at 120 ℃; for 0.25h; Microwave irradiation; Green chemistry;

DOI:10.1016/j.tetlet.2014.06.068

upstream raw materials:

carbon monoxide

N-cyclohexylidene-1-phenylethylamine

para-thiocresol

But-(E)-ylidene-(1-phenyl-ethyl)-amine

Downstream raw materials:

(S)-4-methyl-N-(1-phenylethyl)benzamide

(R)-4-methyl-N-(1-phenylethyl)benzamide