2'-Cyano-2-fluorobiphenyl-3-ylboronic acid

Base Information

Chemical Name:2'-Cyano-2-fluorobiphenyl-3-ylboronic acid
CAS No.:425378-90-1
Molecular Formula:C13H9 B F N O2
Molecular Weight:241.03
Hs Code.:
DSSTox Substance ID:DTXSID20469938
Wikidata:Q82297870
Mol file:425378-90-1.mol

Synonyms:425378-90-1;2'-CYANO-2-FLUOROBIPHENYL-3-YLBORONIC ACID;(2'-Cyano-2-fluoro-[1,1'-biphenyl]-3-yl)boronic acid;2'-cyano-2-fluorobiphenyl-3-boronic acid;{2'-cyano-2-fluoro-[1,1'-biphenyl]-3-yl}boronic acid;starbld0019587;SCHEMBL2650373;DTXSID20469938;PODKTOWRSBFDPR-UHFFFAOYSA-N

Suppliers and Price of 2'-Cyano-2-fluorobiphenyl-3-ylboronic acid

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
2'-CYANO-2-FLUOROBIPHENYL-3-YLBORONIC ACID 95.00%
5MG
$ 496.20

Total 5 raw suppliers

Chemical Property of 2'-Cyano-2-fluorobiphenyl-3-ylboronic acid

Chemical Property:

PSA：64.25000
LogP:1.04418
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:241.0710369
Heavy Atom Count:18
Complexity:330

Purity/Quality:

97% ^*data from raw suppliers

2'-CYANO-2-FLUOROBIPHENYL-3-YLBORONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=C(C(=CC=C1)C2=CC=CC=C2C#N)F)(O)O

Technology Process of 2'-Cyano-2-fluorobiphenyl-3-ylboronic acid

There total 3 articles about 2'-Cyano-2-fluorobiphenyl-3-ylboronic acid 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: 67.0%

: 400820-15-7
2'-fluoro-[1,1'-biphenyl]-2-carbonitrile

: 425378-90-1
2'-cyano-2-fluorobiphenyl-3-boronic acid

Guidance literature:: 2'-fluoro-[1,1'-biphenyl]-2-carbonitrile; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

With Trimethyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃;
DOI:10.1021/jm051065l

Reference yield:

: 2042-37-7
o-cyanobromobenzene

: 425378-90-1
2'-cyano-2-fluorobiphenyl-3-boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 100 percent / KF; tris(dibenzylideneacetone)dipalladium; tri-tert-butylphosphine / tetrahydrofuran; dioxane / 0.75 h / 20 - 50 °C

2.1: n-BuLi; 2,2,6,6-tetramethylpiperidine / hexane; tetrahydrofuran / 2 h / -78 °C

2.2: 67 percent / trimethyl borate / hexane; tetrahydrofuran / -78 - 20 °C

With 2,2,6,6-tetramethyl-piperidine; potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; n-butyllithium; tri-tert-butyl phosphine; In tetrahydrofuran; 1,4-dioxane; hexane;
DOI:10.1021/jm051065l

Reference yield:

: 1993-03-9
o-fluorophenylboronic acid

: 425378-90-1
2'-cyano-2-fluorobiphenyl-3-boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 100 percent / KF; tris(dibenzylideneacetone)dipalladium; tri-tert-butylphosphine / tetrahydrofuran; dioxane / 0.75 h / 20 - 50 °C

2.1: n-BuLi; 2,2,6,6-tetramethylpiperidine / hexane; tetrahydrofuran / 2 h / -78 °C

2.2: 67 percent / trimethyl borate / hexane; tetrahydrofuran / -78 - 20 °C

With 2,2,6,6-tetramethyl-piperidine; potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; n-butyllithium; tri-tert-butyl phosphine; In tetrahydrofuran; 1,4-dioxane; hexane;
DOI:10.1021/jm051065l