2-Anilino-1-(4-methylphenyl)ethanone

Base Information

• Chemical Name: 2-Anilino-1-(4-methylphenyl)ethanone
• CAS No.: 92850-22-1
• Molecular Formula: C₁₅H₁₅NO
• Molecular Weight: 225.29
• DSSTox Substance ID: DTXSID001322126
• Nikkaji Number: J1.233.967D
• ChEMBL ID: CHEMBL1521054
• Mol file: 92850-22-1.mol

Synonyms:2-anilino-1-(4-methylphenyl)ethanone;MLS001179963;SMR000588911;2-anilino-1-(p-tolyl)ethanone;CHEMBL1521054;SCHEMBL11805893;BDBM67345;cid_2564786;DTXSID001322126;HMS1789K06;HMS2862L10;4'-Methyl-alpha-anilinoacetophenone;AKOS022346760;1-(4-methylphenyl)-2-phenylazanyl-ethanone;MLS-0322948.0001;SR-01000062120;SR-01000062120-1;Z57057728;92850-22-1

Chemical Property of 2-Anilino-1-(4-methylphenyl)ethanone

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2

Technology Process of 2-Anilino-1-(4-methylphenyl)ethanone

There total 6 articles about 2-Anilino-1-(4-methylphenyl)ethanone 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: 98.0%

aniline (62-53-3) + 4-(bromoacetyl)toluene (619-41-0) → 1-(4-methylphenyl)-2-(phenylamino)ethanone (92850-22-1)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; water; at 20 ℃; for 24h;

DOI:10.1002/ejoc.201900394

Reference yield:

para-methylacetophenone (122-00-9) → 1-(4-methylphenyl)-2-(phenylamino)ethanone (92850-22-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide; toluene-4-sulfonic acid / acetonitrile / 24 h / 50 °C / Inert atmosphere

2: sodium hydrogencarbonate / ethanol / 12 h / 20 °C

With N-Bromosuccinimide; sodium hydrogencarbonate; toluene-4-sulfonic acid; In ethanol; acetonitrile;

DOI:10.1039/c7ob02012k

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → 1-(4-methylphenyl)-2-(phenylamino)ethanone (92850-22-1)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: alcohol

With aluminium trichloride; ethanol;

upstream raw materials:

aniline

p-methylphenacyl chloride

4-(bromoacetyl)toluene

toluene

Downstream raw materials:

(2-Oxo-2-p-tolyl-ethyl)-phenyl-thiocarbamic acid O-phenyl ester

2-(1H-indol-3-yl)-2-(phenylamino)-1-(p-tolyl)ethanone

(Z)-(5-(4-methylbenylidene)-1,2-diphenyl-2,5-dihydro-1H-pyrazole-3,4-diyl)bis(p-tolylmethanone)

2-(4-methylphenyl)-1H-indole