4-Oxochroman-6-carbonitrile

Base Information

Chemical Name:4-Oxochroman-6-carbonitrile
CAS No.:214759-65-6
Molecular Formula:C10H7 N O2
Molecular Weight:173.171
Hs Code.:2932990090
DSSTox Substance ID:DTXSID50568706
Wikidata:Q82455035
Mol file:214759-65-6.mol

Synonyms:4-OXOCHROMAN-6-CARBONITRILE;138801-92-0;2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-4-oxo-;4-OXOCHROMANE-6-CARBONITRILE;4-OXO-3,4-DIHYDRO-2H-1-BENZOPYRAN-6-CARBONITRILE;4-oxo-2,3-dihydrochromene-6-carbonitrile;SCHEMBL1265517;DTXSID50568706;AKOS006229497;AB56653;AS-68444;CS-0187047;N14322;A903062;A903063;4-OXO-2,3-DIHYDRO-1-BENZOPYRAN-6-CARBONITRILE

Suppliers and Price of 4-Oxochroman-6-carbonitrile

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
6-Cyano-4-chromanone
50mg
$ 45.00

Crysdot
4-Oxochroman-6-carbonitrile 95+%
5g
$ 994.00

Crysdot
4-Oxochroman-6-carbonitrile 95+%
1g
$ 331.00

ChemScene
4-Oxochromane-7-carbonitrile
1g
$ 236.00

ChemScene
4-Oxochromane-7-carbonitrile
5g
$ 708.00

Chemenu
4-Oxochroman-6-carbonitrile 95%
5g
$ 937.00

Chemenu
4-Oxochroman-6-carbonitrile 95%
1g
$ 312.00

Apolloscientific
6-Cyano-4-chromanone 95%
250mg
$ 140.00

Apolloscientific
6-Cyano-4-chromanone 95%
1g
$ 335.00

American Custom Chemicals Corporation
6-CYANO-4-CHROMANONE 97.00%
5G
$ 1628.55

Total 9 raw suppliers

Chemical Property of 4-Oxochroman-6-carbonitrile

Chemical Property:

Boiling Point:359.1±42.0 °C(Predicted)
PSA：50.09000
Density:1.29±0.1 g/cm3(Predicted)
LogP:1.52348
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:173.047678466
Heavy Atom Count:13
Complexity:265

Purity/Quality:

97% ^*data from raw suppliers

6-Cyano-4-chromanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC2=C(C1=O)C=C(C=C2)C#N

Technology Process of 4-Oxochroman-6-carbonitrile

There total 3 articles about 4-Oxochroman-6-carbonitrile 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: 62.0%

: 557-21-1
zinc(II) cyanide

: 18442-22-3
7-Bromo-2,3-dihydro-4H-chromen-4-one

: 214759-65-6
4-oxo-3,4-dihydro-2H-1-benzopyran-7-carbonitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 110 ℃; for 12h; Inert atmosphere;
DOI:10.1016/j.ejmech.2021.114080

Reference yield:

: 151-50-8
potassium cyanide

: 151884-08-1
4-oxochroman-7-yl trifluoromethanesulfonate

: 214759-65-6
4-oxo-3,4-dihydro-2H-1-benzopyran-7-carbonitrile

Guidance literature:: With hydrogenchloride; zinc; dibromobis(triphenylphosphine)nickel(II); triphenylphosphine; In acetonitrile; at 60 ℃; for 6h;