2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile

Base Information

Chemical Name:2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile
CAS No.:55040-43-2
Molecular Formula:C8H3BrN2OS
Molecular Weight:255.08862
Hs Code.:2934999090
DSSTox Substance ID:DTXSID90593855
Wikidata:Q82488462
Mol file:55040-43-2.mol

Synonyms:55040-43-2;2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile;2-bromo-4-hydroxythieno[3,2-c]pyridine-7-carbonitrile;2-bromo-4-oxo-5H-thieno[3,2-c]pyridine-7-carbonitrile;2-Bromo-4-oxo-4,5-dihydrothieno-[3,2-c]pyridine-7-carbonitrile;C8H3BrN2OS;2-bromo-7-cyano-5H-thieno[3,2-c]pyridin-4-one;SCHEMBL3088202;DTXSID90593855;FIAFOJCIZMGXIV-UHFFFAOYSA-N;AKOS016000469;AM806942;DB-071939;CS-0331795;C15975;7-cyano-2-bromo-4-oxo-4,5-dihydrothieno[3,2-c]-pyridine

Suppliers and Price of 2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-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

Crysdot
2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile 95+%
1g
$ 580.00

American Custom Chemicals Corporation
2-BROMO-4-OXO-4,5-DIHYDROTHIENO[3,2-C]PYRIDINE-7-CARBONITRILE 95.00%
5MG
$ 499.47

Alichem
2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile
5g
$ 1857.10

Alichem
2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile
1g
$ 745.56

Total 16 raw suppliers

Chemical Property of 2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile

Chemical Property:

PSA：84.89000
LogP:2.22378
Storage Temp.:2-8°C
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:253.91495
Heavy Atom Count:13
Complexity:332

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(SC2=C1C(=O)NC=C2C#N)Br

Technology Process of 2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile

There total 6 articles about 2-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-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: 100.0%

: 55040-34-1
4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile

: 55040-43-2
2-bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile

Guidance literature:: 4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile; With N-Bromosuccinimide; acetic acid; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

With sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; at 20 ℃; pH=9 - 10; regioselective reaction;
DOI:10.1021/acs.jmedchem.7b01490

Reference yield:

: 20893-30-5
2-cyanomethylthiophene

: 55040-43-2
2-bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile

Guidance literature:: Multi-step reaction with 5 steps

1.1: potassium carbonate / methanol / 2 h / Inert atmosphere; Reflux

2.1: oxalyl dichloride / dichloromethane / 1 h / 20 °C

3.1: sodium azide / 1,4-dioxane; water / 0 - 20 °C

4.1: tributyl-amine / dichloromethane; diphenylether / 2.17 h / 210 °C / Inert atmosphere

5.1: N-Bromosuccinimide; acetic acid / N,N-dimethyl-formamide / 12 h / 80 °C

5.2: 20 °C / pH 9 - 10

With N-Bromosuccinimide; sodium azide; oxalyl dichloride; tributyl-amine; potassium carbonate; acetic acid; In 1,4-dioxane; methanol; diphenylether; dichloromethane; water; N,N-dimethyl-formamide; 1.1: |Knoevenagel Condensation / 4.1: |Curtius Rearrangement;
DOI:10.1021/acs.jmedchem.7b01490

Reference yield:

: 912368-67-3
(2Z)-3-cyano-3-(2-thienyl)acrylic acid potassium salt

: 55040-43-2
2-bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-7-carbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: oxalyl dichloride / dichloromethane / 1 h / 20 °C

2.1: sodium azide / 1,4-dioxane; water / 0 - 20 °C

3.1: tributyl-amine / dichloromethane; diphenylether / 2.17 h / 210 °C / Inert atmosphere

4.1: N-Bromosuccinimide; acetic acid / N,N-dimethyl-formamide / 12 h / 80 °C

4.2: 20 °C / pH 9 - 10

With N-Bromosuccinimide; sodium azide; oxalyl dichloride; tributyl-amine; acetic acid; In 1,4-dioxane; diphenylether; dichloromethane; water; N,N-dimethyl-formamide; 3.1: |Curtius Rearrangement;
DOI:10.1021/acs.jmedchem.7b01490