Oxoamide

Base Information

Chemical Name:Oxoamide
CAS No.:713-05-3
Molecular Formula:C₁₀H₁₂N₂O₂
Molecular Weight:192.217
Hs Code.:2933399090
UNII:OL86R2ULD8
DSSTox Substance ID:DTXSID80862385
Nikkaji Number:J557.309B
Metabolomics Workbench ID:37542
ChEMBL ID:CHEMBL3544600
Mol file:713-05-3.mol

Synonyms:gamma-(3-pyridyl)-gamma-oxo-N-methylbutyramide;oxoamide

Suppliers and Price of Oxoamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
N-METHYL- -OXO-3-PYRIDINEBUTANAMIDE 95.00%
50MG
$ 1593.90

American Custom Chemicals Corporation
N-METHYL- -OXO-3-PYRIDINEBUTANAMIDE 95.00%
5MG
$ 738.10

Total 8 raw suppliers

Chemical Property of Oxoamide

Chemical Property:

Vapor Pressure:3.16E-08mmHg at 25°C
Melting Point:117-120°C
Boiling Point:448.2°C at 760 mmHg
Flash Point:224.9°C
PSA：59.06000
Density:1.133g/cm³
LogP:1.18140
Storage Temp.:-20°C Freezer
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:192.089877630
Heavy Atom Count:14
Complexity:216

Purity/Quality:

99% ^*data from raw suppliers

N-METHYL- -OXO-3-PYRIDINEBUTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)CCC(=O)C1=CN=CC=C1
Uses An metabolite of Cotinine. In equilibrium with 5?Hydroxycotinine the cyclized form

Technology Process of Oxoamide

There total 8 articles about Oxoamide 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: 70.0%

: 4192-31-8
4-oxo-4-(pyridin-3-yl)butanoic acid

: 593-51-1
methylamine hydrochloride

: 713-05-3
4-(3-pyridyl)-4-oxo-N-methylbutyramide

: 61192-50-5,75919-05-0
5-hydroxy-1-methyl-5-(3-pyridyl)-2-pyrrolidinone

Guidance literature:: With 1-hydroxy-pyrrolidine-2,5-dione; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 20 ℃; for 22h;
DOI:10.1021/acs.chemrestox.6b00384

Reference yield: 15.0%

: 61192-50-5,75919-05-0
5-hydroxy-1-methyl-5-(3-pyridyl)-2-pyrrolidinone

: 713-05-3
4-(3-pyridyl)-4-oxo-N-methylbutyramide

Guidance literature:: In water;
DOI:10.1021/jo00317a021

Reference yield:

: 74093-56-4
(S)-3,3-dibromocotinine

: 713-05-3
4-(3-pyridyl)-4-oxo-N-methylbutyramide

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / KOH / -10 deg C, then 2 h room temperature

2: 82 percent / 15 percent aqueous HBr / 2 h / 95 °C

3: 92 percent / H₂ / 10percent Pd/C / ethyl acetate / 20 h

4: 15 percent / H₂O

With potassium hydroxide; hydrogen bromide; hydrogen; palladium on activated charcoal; In water; ethyl acetate;
DOI:10.1021/jo00317a021