3-Oxo-3-(thiophen-3-yl)propanenitrile

Base Information

Chemical Name:3-Oxo-3-(thiophen-3-yl)propanenitrile
CAS No.:69879-30-7
Molecular Formula:C7H5NOS
Molecular Weight:151.1857
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20372352
Wikidata:Q82160017
ChEMBL ID:CHEMBL3251053
Mol file:69879-30-7.mol

Synonyms:3-oxo-3-(thiophen-3-yl)propanenitrile;69879-30-7;3-oxo-3-(3-thienyl)propanenitrile;3-oxo-3-thiophen-3-ylpropanenitrile;MFCD00111016;3-cyanoacetyl thiophene;Maybridge3_006430;SCHEMBL236184;b-Oxo-3-thiophenepropanenitrile;CHEMBL3251053;beta-oxo-3-thiophenepropionitrile;DTXSID20372352;HMS1449E06;2-oxo-2-(3-thienyl)ethyl cyanide;AMY21427;2-(thiophen-3-carbonyl)acetonitrile;CCG-52954;FD6078;2-(thiophene-3-carbonyl)acetonitrile;AKOS000173780;GC-0058;PB12090;IDI1_017817;NCGC00336503-01;SY173762;A9240;CS-0055268;FT-0604163;EN300-42458;AB01169657-03;J-513007;SR-01000642151-1;Z317041950

Suppliers and Price of 3-Oxo-3-(thiophen-3-yl)propanenitrile

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-Oxo-3-(thiophen-3-yl)propanenitrile
500mg
$ 225.00

Matrix Scientific
3-Oxo-3-(3-thienyl)propanenitrile >95%
1g
$ 304.00

Matrix Scientific
3-Oxo-3-(3-thienyl)propanenitrile >95%
500mg
$ 244.00

Crysdot
3-Oxo-3-(thiophen-3-yl)propanenitrile 97%
5g
$ 697.00

Arctom
3-Oxo-3-(thiophen-3-yl)propanenitrile 95%
1g
$ 304.00

Apolloscientific
3-Oxo-3-(thiophen-3-yl)propanenitrile 95%
250mg
$ 225.00

Apolloscientific
3-Oxo-3-(thiophen-3-yl)propanenitrile 95%
1g
$ 545.00

American Custom Chemicals Corporation
3-OXO-3-(THIOPHEN-3-YL)PROPANENITRILE 95.00%
5G
$ 1210.63

American Custom Chemicals Corporation
3-OXO-3-(THIOPHEN-3-YL)PROPANENITRILE 95.00%
2.5G
$ 1011.60

American Custom Chemicals Corporation
3-OXO-3-(THIOPHEN-3-YL)PROPANENITRILE 95.00%
1G
$ 736.12

Total 13 raw suppliers

Chemical Property of 3-Oxo-3-(thiophen-3-yl)propanenitrile

Chemical Property:

Vapor Pressure:0.000498mmHg at 25°C
Melting Point:91-93 °C
Refractive Index:1.565
Boiling Point:313.4 °C at 760 mmHg
PKA:7.56±0.10(Predicted)
Flash Point:143.3 °C
PSA：69.10000
Density:1.256 g/cm³
LogP:1.84448
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:151.00918496
Heavy Atom Count:10
Complexity:181

Purity/Quality:

97% ^*data from raw suppliers

3-Oxo-3-(thiophen-3-yl)propanenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CSC=C1C(=O)CC#N
Uses 3-Oxo-3-(thiophen-3-yl)propanenitrile is used in preparation of thiazolyl nicotinamides as adenosine A3 receptor modulators.

Technology Process of 3-Oxo-3-(thiophen-3-yl)propanenitrile

There total 4 articles about 3-Oxo-3-(thiophen-3-yl)propanenitrile 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: 53.0%

: 5751-80-4
thiophene-3-carboxylic acid ethyl ester

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

: 69879-30-7
2-(thiophene-3-carbonyl)acetonitrile

Guidance literature:: acetonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

thiophene-3-carboxylic acid ethyl ester; In tetrahydrofuran; hexane; at -78 ℃; for 2h;
DOI:10.1039/c9cc07204g