3-Oxobutanenitrile

Base Information

Chemical Name:3-Oxobutanenitrile
CAS No.:2469-99-0
Molecular Formula:C4H5NO
Molecular Weight:83.0898
Hs Code.:2926909090
European Community (EC) Number:219-590-8
DSSTox Substance ID:DTXSID90179431
Nikkaji Number:J27.729K
Wikidata:Q72498573
Mol file:2469-99-0.mol

Synonyms:3-oxobutanenitrile;2469-99-0;3-oxo-butyronitrile;3-Oxobutyronitrile;Butanenitrile, 3-oxo-;cyanoacetone;EINECS 219-590-8;Cyanaceton;a-Cyanoacetone;acetoacetonitrile;Acetylacetonitrile;1-cyano-2-propanone;alpha-acetylacetonitrile;NCC(CH3)CO;DTXSID90179431;MFCD05861381;AKOS007929924;AM86800;CS-W020196;SB36157;FT-0725204;EN300-50651;A846609

Suppliers and Price of 3-Oxobutanenitrile

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

TRC
3-?Oxobutanenitrile
10g
$ 395.00

Labseeker
3-OXOBUTANENITRILE 95
100g
$ 539.00

J&W Pharmlab
3-Oxo-butyronitrile 95%
5g
$ 145.00

J&W Pharmlab
3-Oxo-butyronitrile 95%
1g
$ 48.00

J&W Pharmlab
3-Oxo-butyronitrile 95%
25g
$ 480.00

American Custom Chemicals Corporation
3-OXOBUTANENITRILE 95.00%
5MG
$ 498.15

Ambeed
3-Oxobutanenitrile 95%
25g
$ 70.00

Ambeed
3-Oxobutanenitrile 95%
5g
$ 43.00

Ambeed
3-Oxobutanenitrile 95%
10g
$ 43.00

Ambeed
3-Oxobutanenitrile 95%
1g
$ 16.00

Total 79 raw suppliers

Chemical Property of 3-Oxobutanenitrile

Chemical Property:

Vapor Pressure:13.3mmHg at 25°C
Refractive Index:1.397
Boiling Point:123.5°C at 760 mmHg
PKA:10.31±0.10(Predicted)
Flash Point:28.5°C
PSA：40.86000
Density:0.976g/cm³
LogP:0.48908
Storage Temp.:Inert atmosphere,Store in freezer, under -20°C
Water Solubility.:Slightly soluble in water.
XLogP3:-0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:83.037113783
Heavy Atom Count:6
Complexity:97.4

Purity/Quality:

99%, ^*data from raw suppliers

3-?Oxobutanenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC#N
Uses 3-?Oxobutanenitrile is a reagent used in the synthesis of pyrazolopyrimidinones as well as in the preparation of inhibitors of phosphopantetheine

Technology Process of 3-Oxobutanenitrile

There total 34 articles about 3-Oxobutanenitrile 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: 89.0%

: 4433-76-5
2-methyl-3-oxobutanamide

: 2469-99-0
Cyanoaceton

Guidance literature:: at 300 ℃; for 1h; Temperature;

Reference yield: 87.0%

: 141-78-6
ethyl acetate

: 75-05-8,26809-02-9
acetonitrile

: 2469-99-0
Cyanoaceton

Guidance literature:: With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h; Reagent/catalyst; Inert atmosphere;

Reference yield: 85.0%

: 79-20-9
acetic acid methyl ester

: 75-05-8,26809-02-9
acetonitrile

: 2469-99-0
Cyanoaceton

Guidance literature:: With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h; Reagent/catalyst; Inert atmosphere;