N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide

Base Information

• Chemical Name: N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
• CAS No.: 92-16-0
• Molecular Formula: C16H15 N O3
• Molecular Weight: 269.3
• Hs Code.: 2924299090
• European Community (EC) Number: 202-132-6
• DSSTox Substance ID: DTXSID9059042
• Nikkaji Number: J13.537B
• Wikidata: Q81988652
• ChEMBL ID: CHEMBL1330315
• Mol file: 92-16-0.mol

Synonyms:N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide;92-16-0;2-Benzoyl-2'-methoxyacetanilide;Benzoylacet-o-anisidide;BRN 2742898;EINECS 202-132-6;2-Benzoyl-o-acetanisidide;Benzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo-;o-ACETANISIDIDE, BENZOYL-;N-(2-Methoxyphenyl)-beta-oxobenzenepropanamide;Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-;alpha-BENZOYL-o-METHOXY ACETANILIDE;Oprea1_238148;MLS001198317;2-benzoyl-2'-methoxyacetanilid;SCHEMBL3315763;CHEMBL1330315;DTXSID9059042;HMS2856G18;STK711610;AKOS001754896;NCGC00245894-01;SMR000559163;CS-0330306;AF-628/30935027;SR-01000525560;N~1~-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide;SR-01000525560-1;965-50-4

Chemical Property of N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide

Chemical Property:

• Melting Point: 81-83 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 412.44°C (rough estimate)
• PKA: 10.42±0.23(Predicted)
• Flash Point: 239.2oC
• PSA: 55.40000
• Density: 1.1347 (rough estimate)
• LogP: 2.97970
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 269.10519334
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2

Technology Process of N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide

There total 2 articles about N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide 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:

2-methoxy-phenylamine (90-04-0) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide (92-16-0)

Guidance literature:

DOI:10.1021/ja01568a062

Reference yield:

→ N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide (92-16-0)

Guidance literature:

Ethyl-benzoylacetat, o-Anisidin;

Reference yield: 89.0%

N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide (92-16-0) + acrylic acid (79-10-7) → 1-((2-methoxyphenyl)amino)-1,3-dioxo-3-phenylpropan-2-yl acrylate

Guidance literature:

With iodosylbenzene; In dichloromethane; at 0 ℃; for 0.25h; chemoselective reaction;

DOI:10.1021/acs.joc.8b00114

upstream raw materials:

2-methoxy-phenylamine

ethyl 3-oxo-3-phenylpropionate

Downstream raw materials:

2-(4-diethylamino-2-methyl-phenylimino)-3-oxo-3-phenyl-propionic acid o-anisidide