3'-Bromo-5'-fluorobiphenyl-2-carbonitrile

Base Information

Chemical Name:3'-Bromo-5'-fluorobiphenyl-2-carbonitrile
CAS No.:462652-01-3
Molecular Formula:C13H7BrFN
Molecular Weight:276.108
Hs Code.:
DSSTox Substance ID:DTXSID60469396
Wikidata:Q82297089
Mol file:462652-01-3.mol

Synonyms:3'-BROMO-5'-FLUOROBIPHENYL-2-CARBONITRILE;462652-01-3;SCHEMBL2652196;DTXSID60469396;AWCIWMZLUIEITJ-UHFFFAOYSA-N;5'-bromo-3'-fluorobiphenyl-2-carbonitrile

Suppliers and Price of 3'-Bromo-5'-fluorobiphenyl-2-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

American Custom Chemicals Corporation
3'-BROMO-5'-FLUOROBIPHENYL-2-CARBONITRILE 95.00%
5MG
$ 505.24

Total 3 raw suppliers

Chemical Property of 3'-Bromo-5'-fluorobiphenyl-2-carbonitrile

Chemical Property:

PSA：23.79000
LogP:4.12688
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:274.97459
Heavy Atom Count:16
Complexity:285

Purity/Quality:

97% ^*data from raw suppliers

3'-BROMO-5'-FLUOROBIPHENYL-2-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C#N)C2=CC(=CC(=C2)Br)F

Technology Process of 3'-Bromo-5'-fluorobiphenyl-2-carbonitrile

There total 5 articles about 3'-Bromo-5'-fluorobiphenyl-2-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:

: 462652-00-2
5'-amino-3'-fluoro-biphenyl-2-carbonitrile

: 462652-01-3
3’-bromo-5’-fluoro-[1,1‘-biphenyl]-2-carbonitrile

Guidance literature:: With hydrogen bromide; copper(I) bromide; sodium nitrite; In 1,4-dioxane; at 5 - 50 ℃; for 0.5h;
DOI:10.1021/jm051065l

Reference yield:

: 462651-99-6
5'-fluoro-3'-nitro-biphenyl-2-carbonitrile

: 462652-01-3
3’-bromo-5’-fluoro-[1,1‘-biphenyl]-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: SnCl₂*2H₂O / ethanol; tetrahydrofuran / 12 h / 20 °C

2: aq. HBr; NaNO₂; CuBr / dioxane / 0.5 h / 5 - 50 °C

With hydrogen bromide; tin(ll) chloride; copper(I) bromide; sodium nitrite; In tetrahydrofuran; 1,4-dioxane; ethanol; 2: Sandmeyer reaction;
DOI:10.1021/jm051065l

Reference yield:

: 710348-94-0
2-(3-fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

: 462652-01-3
3’-bromo-5’-fluoro-[1,1‘-biphenyl]-2-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: KF; tris(dibenzylideneacetone)dipalladium; tri-tert-butylphosphine / tetrahydrofuran; dioxane / 1.5 h / 20 - 50 °C

2: SnCl₂*2H₂O / ethanol; tetrahydrofuran / 12 h / 20 °C

3: aq. HBr; NaNO₂; CuBr / dioxane / 0.5 h / 5 - 50 °C

With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; hydrogen bromide; tin(ll) chloride; copper(I) bromide; sodium nitrite; In tetrahydrofuran; 1,4-dioxane; ethanol; 3: Sandmeyer reaction;
DOI:10.1021/jm051065l