3-Oxo-n-(pyridin-3-yl)butanamide

Base Information

• Chemical Name: 3-Oxo-n-(pyridin-3-yl)butanamide
• CAS No.: 1657-34-7
• Molecular Formula: C9H10 N2 O2
• Molecular Weight: 178.191
• NSC Number: 108434
• DSSTox Substance ID: DTXSID30296237
• Nikkaji Number: J490.320J
• Wikidata: Q82036722
• Mol file: 1657-34-7.mol

Synonyms:1657-34-7;3-oxo-n-(pyridin-3-yl)butanamide;3-oxo-N-3-pyridinylbutanamide;3-oxo-N-pyridin-3-ylbutanamide;2-ACETOACETAMINOPYRIMIDINE;NSC108434;N-(3-Pyridyl)acetoacetamide;SCHEMBL11036486;DTXSID30296237;3-oxo-N-(3-pyridinyl)butanamide;MFCD01102497;AKOS000165874;NSC 108434;NSC-108434;BS-35760;FT-0739101

Chemical Property of 3-Oxo-n-(pyridin-3-yl)butanamide

Chemical Property:

• Vapor Pressure: 2.16E-06mmHg at 25°C
• Boiling Point: 393.2°Cat760mmHg
• Flash Point: 191.6°C
• Density: 1.221g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.074227566
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NC1=CN=CC=C1

Technology Process of 3-Oxo-n-(pyridin-3-yl)butanamide

There total 8 articles about 3-Oxo-n-(pyridin-3-yl)butanamide 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: 96.0%

pyridin-3-ylamine (462-08-8) + 2,2,6-trimethyl-4H-1,3-dioxin-4-one (5394-63-8) → 3-oxo-N-(pyridin-3-yl)butanamide (1657-34-7)

Guidance literature:

In toluene; at 140 ℃; for 2h;

Reference yield: 84.0%

pyridin-3-ylamine (462-08-8) + ethyl acetoacetate (141-97-9) → 3-oxo-N-(pyridin-3-yl)butanamide (1657-34-7)

Guidance literature:

for 0.166667h; microwave irradiation;

DOI:10.1080/00397910008086998

Reference yield: 34.0%

2,2,6-trimethyl-4H-1,3-dioxin-4-one (5394-63-8) + 3-aminopicolinic acid trimethylsilyl ester (157562-24-8) → 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one (771-03-9) + 3-oxo-N-(pyridin-3-yl)butanamide (1657-34-7)

Guidance literature:

at 140 ℃; for 2.5h;

upstream raw materials:

pyridin-3-ylamine

ethyl acetoacetate

2,2,6-trimethyl-4H-1,3-dioxin-4-one

3-aminopicolinic acid trimethylsilyl ester

Downstream raw materials:

4-(1-benzyl-2-(methylthio)-1H-imidazol-5-yl)-2,6-dimethyl-N₃,N₅-bis(pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxamide

4-(2-(methylthio)-1-(phenylamino)-1H-imidazol-5-yl)-2,6-dimethyl-N₃,N₅-di(pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxamide