4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid

Base Information

Chemical Name:4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid
CAS No.:1009303-56-3
Molecular Formula:C₇H₆BFN₄O₂
Molecular Weight:207.96
Hs Code.:
European Community (EC) Number:687-336-7
DSSTox Substance ID:DTXSID40461232
Wikidata:Q82285504
Mol file:1009303-56-3.mol

Synonyms:4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid;1009303-56-3;[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic Acid;(4-Fluoro-3-(1H-tetrazol-5-yl)phenyl)boronic acid;SCHEMBL392782;Boronic acid, B-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-;DTXSID40461232;MFCD13176533;AKOS015960289;NCGC00249529-01;(4-Fluoro-3-(1H-tetrazol-5-yl)phenyl)boronicacid

Suppliers and Price of 4-Fluoro-3-(tetrazol-5-yl)phenylboronic 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

TRC
4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid
25mg
$ 55.00

Sigma-Aldrich
4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid
250mg
$ 95.50

Sigma-Aldrich
4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid
1g
$ 270.00

Crysdot
(4-Fluoro-3-(1H-tetrazol-5-yl)phenyl)boronicacid 95+%
1g
$ 301.00

Chemenu
(4-Fluoro-3-(1H-tetrazol-5-yl)phenyl)boronicacid 98%
1g
$ 97.00

Total 8 raw suppliers

Chemical Property of 4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid

Chemical Property:

Melting Point:163-168°C
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:208.0567838
Heavy Atom Count:15
Complexity:223

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CC(=C(C=C1)F)C2=NNN=N2)(O)O
Uses Used in palladium-catalyzed, Suzuki-Miyuara cross coupling reactions

Technology Process of 4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid

There total 3 articles about 4-Fluoro-3-(tetrazol-5-yl)phenylboronic 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: 85.0%

: 775351-57-0
2-fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile

: 1009303-56-3
5-[2-fluoro-5-(boronic acid)-phenyl]-1H-tetrazole

Guidance literature:: 2-fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile; With trimethylsilylazide; di(n-butyl)tin oxide; In Dimethyl ether; at 150 ℃; for 0.333333h; Irradiation;

With sodium hydroxide; In water;
DOI:10.1021/ol048896q

Reference yield: 18.0%

: 1009303-56-3
5-[2-fluoro-5-(boronic acid)-phenyl]-1H-tetrazole

Guidance literature:

Reference yield:

: 179897-89-3
5-Bromo-2-fluoro-benzonitrile

: 1009303-56-3
5-[2-fluoro-5-(boronic acid)-phenyl]-1H-tetrazole

Guidance literature:: Multi-step reaction with 2 steps

1.1: 22 percent / KOAc; Pd(dppf)Cl₂ / dimethylformamide / 0.17 h / 150 °C / Irradiation; microwave

2.1: TMSN₃; Bu₂Sn(O) / dimethyl ether / 0.33 h / 150 °C / Irradiation

2.2: 85 percent / NaOH / H₂O

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; trimethylsilylazide; potassium acetate; di(n-butyl)tin oxide; In Dimethyl ether; N,N-dimethyl-formamide;
DOI:10.1021/ol048896q