N-(3-chloro-4-methylphenyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(3-chloro-4-methylphenyl)-3-oxobutanamide
• CAS No.: 52793-03-0
• Molecular Formula: C11H12ClNO2
• Molecular Weight: 225.67
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20358171
• Nikkaji Number: J153.416E
• Wikidata: Q82138536
• Mol file: 52793-03-0.mol

Synonyms:N-(3-chloro-4-methylphenyl)-3-oxobutanamide;52793-03-0;N-(3-Chloro-4-methyl-phenyl)-3-oxo-butyramide;CBMicro_044804;SCHEMBL12531500;DTXSID20358171;MFCD01001271;STL090831;AKOS000115164;ACETOACET-3-CHLORO-4-METHYLANILIDE;BIM-0044905.P001;EN300-01462;SR-01000227134;SR-01000227134-1;Z56891337;N-(3-chloro-4-methyl-phenyl)-3-oxo-butyramide, AldrichCPR

Chemical Property of N-(3-chloro-4-methylphenyl)-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 1.45E-06mmHg at 25°C
• Boiling Point: 398.7°C at 760 mmHg
• Flash Point: 194.9°C
• PSA: 49.66000
• Density: 1.247g/cm³
• LogP: 3.21550
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 225.0556563
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

N-(3-chloro-4-methylphenyl)-3-oxobutanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3-chloro-4-methylphenyl)-3-oxobutanamide

There total 1 articles about N-(3-chloro-4-methylphenyl)-3-oxobutanamide 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: 53.0%

ethyl acetoacetate (141-97-9) + 3-chloro-p-toluidine (95-74-9,827571-80-2) → N-(3-chloro-4-methylphenyl)-3-oxobutanamide (52793-03-0)

Guidance literature:

With potassium tert-butylate; Microwave irradiation;

DOI:10.1021/jo5025199

Reference yield: 69.0%

N-(3-chloro-4-methylphenyl)-3-oxobutanamide (52793-03-0) + malononitrile (109-77-3) + o-phthalic dicarboxaldehyde (643-79-8) → 3-amino-2-(3-chloro-4-methylphenyl)-1-oxo-2,9-dihydro-1H-indeno[2,1-c]pyridine-4-carbonitrile

Guidance literature:

With sodium hydroxide; In ethanol; at 100 ℃; for 0.25h; Microwave irradiation;

DOI:10.1021/jo5025199

Reference yield:

N-(3-chloro-4-methylphenyl)-3-oxobutanamide (52793-03-0) → 2-dimethylamino-3-hydroxy-butyric acid-(3-chloro-4-methyl-anilide) (106271-11-8)

Guidance literature:

ueber mehrere Stufen;

upstream raw materials:

ethyl acetoacetate

3-chloro-p-toluidine

Downstream raw materials:

2-dimethylamino-3-hydroxy-butyric acid-(3-chloro-4-methyl-anilide)