2-Oxoindoline-5-carbonitrile

Base Information

Chemical Name:2-Oxoindoline-5-carbonitrile
CAS No.:61394-50-1
Molecular Formula:C9H6N2O
Molecular Weight:158.159
Hs Code.:2933790090
European Community (EC) Number:810-851-7
DSSTox Substance ID:DTXSID20378394
Wikidata:Q72458063
Mol file:61394-50-1.mol

Synonyms:2-oxoindoline-5-carbonitrile;61394-50-1;5-CYANOOXINDOLE;2-OXO-2,3-DIHYDRO-1H-INDOLE-5-CARBONITRILE;2-oxo-1,3-dihydroindole-5-carbonitrile;MFCD02179599;5-Cyanoindolin-2-one;1H-Indole-5-carbonitrile, 2,3-dihydro-2-oxo-;5-cyanooxindol;5-cyanooxindole, AldrichCPR;2-oxo-5-indolinecarbonitrile;SCHEMBL261156;DTXSID20378394;NZOSLRYUVHMXTQ-UHFFFAOYSA-N;AKOS000279461;AB11378;PS-3322;AC-22882;SY014853;CS-0054235;FT-0690103;EN300-31992;A833201;Q-102628;Z336286144;InChI=1/C9H6N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4H2,(H,11,12

Suppliers and Price of 2-Oxoindoline-5-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
2-Oxoindoline-5-carbonitrile
50mg
$ 45.00

SynQuest Laboratories
5-Cyanooxindole
100 mg
$ 45.00

SynQuest Laboratories
5-Cyanooxindole
50 mg
$ 29.00

J&W Pharmlab
2-Oxo-2,3-dihydro-1H-indole-5-carbonitrile 97%
5g
$ 380.00

J&W Pharmlab
2-Oxo-2,3-dihydro-1H-indole-5-carbonitrile 97%
25g
$ 1550.00

J&W Pharmlab
2-Oxo-2,3-dihydro-1H-indole-5-carbonitrile 97%
1g
$ 95.00

Crysdot
2-Oxoindoline-5-carbonitrile 95+%
5g
$ 428.00

Chemenu
2-Oxo-2,3-dihydro-1H-indole-5-carbonitrile 95%
5g
$ 400.00

Apolloscientific
5-Cyanooxindole
50mg
$ 15.00

American Custom Chemicals Corporation
5-CYANOOXINDOLE 95.00%
5G
$ 1295.03

Total 38 raw suppliers

Chemical Property of 2-Oxoindoline-5-carbonitrile

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:236-239°C
Refractive Index:1.633
Boiling Point:389.677 °C at 760 mmHg
PKA:12.84±0.20(Predicted)
Flash Point:189.47 °C
PSA：52.89000
Density:1.33g/cm³
LogP:1.19088
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:158.048012819
Heavy Atom Count:12
Complexity:253

Purity/Quality:

97% ^*data from raw suppliers

2-Oxoindoline-5-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 20/21/22-36/37/38-43
Safety Statements: 26-36/37/39-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(C=CC(=C2)C#N)NC1=O
Uses 2-Oxoindoline-5-carbonitrile is used as a reactant in the preparation of indolinone-based kinase inhibitors.

Technology Process of 2-Oxoindoline-5-carbonitrile

There total 7 articles about 2-Oxoindoline-5-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: 89.0%

: 61394-50-1
2-oxo-2,3-dihydro-1H-indole-5-carbonitrile

Guidance literature:

Reference yield: 75.0%

: 15861-24-2,142396-06-3
1H-indole-5-carbonitrile

: 61394-50-1
2-oxo-2,3-dihydro-1H-indole-5-carbonitrile

Guidance literature:: With [(F₈TPP)Fe^III]SbF₆; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at -90 ℃; for 0.25h; Inert atmosphere;
DOI:10.1021/jacs.1c11068

Reference yield: 70.0%

: diethyl 2-(5-cyano-2-nitrophenyl)malonate

: 61394-50-1
2-oxo-2,3-dihydro-1H-indole-5-carbonitrile

Guidance literature:: diethyl 2-(5-cyano-2-nitrophenyl)malonate; With lithium chloride; In water; dimethyl sulfoxide; at 100 ℃; for 3h;

With iron; acetic acid; at 100 ℃; for 2h;
DOI:10.1016/j.ejmech.2020.112316