n-Ethyl-3-oxo-n-phenylbutanamide

Base Information

• Chemical Name: n-Ethyl-3-oxo-n-phenylbutanamide
• CAS No.: 91640-35-6
• Molecular Formula: C12H15 N O2
• Molecular Weight: 205.253
• NSC Number: 144034
• DSSTox Substance ID: DTXSID00301529
• Wikidata: Q82045532
• Mol file: 91640-35-6.mol

Synonyms:n-ethyl-3-oxo-n-phenylbutanamide;N-Ethylacetoacetanilide;91640-35-6;NSC144034;SCHEMBL10622511;DTXSID00301529;AKOS000165253;NSC-144034

Chemical Property of n-Ethyl-3-oxo-n-phenylbutanamide

Chemical Property:

• Vapor Pressure: 0.000401mmHg at 25°C
• Boiling Point: 316.8°Cat760mmHg
• Flash Point: 131.1°C
• PSA: 37.38000
• Density: 1.093g/cm³
• LogP: 2.01860
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

N-ETHYLACETOACETANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(C1=CC=CC=C1)C(=O)CC(=O)C

Technology Process of n-Ethyl-3-oxo-n-phenylbutanamide

There total 4 articles about n-Ethyl-3-oxo-n-phenylbutanamide 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: 80.0%

2,2,6-trimethyl-4H-1,3-dioxin-4-one (5394-63-8) + N-ethyl-N-phenylamine (103-69-5) → N-ethyl-3-oxo-N-phenylbutanamide (91640-35-6)

Guidance literature:

In water; for 2.5h; Reflux; Green chemistry;

DOI:10.1039/c5ra14355a

Reference yield: 12.0%

2-diazo-N-ethyl-3-oxo-N-phenylbutanamide (76269-83-5) → 3-acetyl-1-ethyl-indolin-2-one (76269-86-8) + N-ethyl-3-oxo-N-phenylbutanamide (91640-35-6) + N-Ethyl-2-methyl-N-phenyl-malonamic acid methyl ester (76269-87-9)

Guidance literature:

In methanol; Irradiation;

DOI:10.1021/jo00319a010

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + N-ethyl-N-phenylamine (103-69-5) → N-ethyl-3-oxo-N-phenylbutanamide (91640-35-6)

Guidance literature:

DOI:10.1021/ja01227a032

upstream raw materials:

4-methyleneoxetan-2-one

N-ethyl-N-phenylamine

ethyl acetoacetate

2-diazo-N-ethyl-3-oxo-N-phenylbutanamide

Downstream raw materials:

3,5-dimethyl-pyrrole-2,4-dicarboxylic acid bis-(N-ethyl-anilide)