Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-

Base Information

• Chemical Name: Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
• CAS No.: 63134-28-1
• Molecular Formula: C16H14 N2 O5
• Molecular Weight: 314.298
• Hs Code.: 2924299090
• European Community (EC) Number: 263-917-7
• UNII: NK9CQ92U8V
• DSSTox Substance ID: DTXSID4069711
• Nikkaji Number: J62.019J
• Wikidata: Q81996704
• ChEMBL ID: CHEMBL1532706
• Mol file: 63134-28-1.mol

Synonyms:63134-28-1;2-(3-Nitrobenzoyl)-acetic acid-O-anisidide;N-(2-methoxyphenyl)-3-(3-nitrophenyl)-3-oxopropanamide;Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-;EINECS 263-917-7;Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-.beta.-oxo-;N-(o-Methoxyphenyl)-3-(m-nitrophenyl)-3-oxopropionamide;NK9CQ92U8V;Oprea1_859220;MLS001195063;CHEMBL1532706;DTXSID4069711;HMS2883F05;AKOS001483254;o-Acetanisidide, 2-(m-nitrobenzoyl)-;NCGC00245801-01;SMR000554441;EU-0066800;FT-0702497;N-(2-Methoxyphenyl)-alpha-(3-nitrobenzoyl)acetamide;N-(2-Methoxyphenyl)-3-nitro-beta-oxobenzenepropanamide

Chemical Property of Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-

Chemical Property:

• Vapor Pressure: 1.86E-10mmHg at 25°C
• Boiling Point: 508.4°C at 760 mmHg
• Flash Point: 261.3°C
• PSA: 101.22000
• Density: 1.341g/cm³
• LogP: 3.41110
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 314.09027155
• Heavy Atom Count: 23
• Complexity: 448

Purity/Quality:

98% ^*data from raw suppliers

2-(3-NITROBENZOYL)-ACETIC ACID-O-ANISIDIDE 95.00% ^*data from reagent 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)[N+](=O)[O-]

Technology Process of Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-

There total 2 articles about Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo- 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:

ethyl 3-oxo-3-(3-nitrophenyl)propanoate (52119-38-7) + 2-methoxy-phenylamine (90-04-0) → 3-(3-nitro-phenyl)-3-oxo-propionic acid o-anisidide (63134-28-1)

Guidance literature:

Reference yield:

→ 3-(3-nitro-phenyl)-3-oxo-propionic acid o-anisidide (63134-28-1)

Guidance literature:

(3-Nitro-benzoyl)-essigsaeure-aethylester, 2-Methoxy-anilin, sd. Xylol;

Reference yield:

3-(3-nitro-phenyl)-3-oxo-propionic acid o-anisidide (63134-28-1) → 3-{3-[2-(2,4-di-tert-pentyl-phenoxy)-acetylamino]-phenyl}-3-oxo-propionic acid o-anisidide (5355-37-3)

Guidance literature:

With iron; anschliessend Umsetzung mit <2,4-Di-tert-pentyl-phenoxy>-acetylchlorid;

upstream raw materials:

ethyl 3-oxo-3-(3-nitrophenyl)propanoate

2-methoxy-phenylamine

Downstream raw materials:

3-{3-[2-(2,4-di-tert-pentyl-phenoxy)-acetylamino]-phenyl}-3-oxo-propionic acid o-anisidide