3'-Fluoro-5'-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile

Base Information

Chemical Name:3'-Fluoro-5'-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile
CAS No.:462652-02-4
Molecular Formula:C₁₉H₁₉BFNO₂
Molecular Weight:323.175
Hs Code.:
DSSTox Substance ID:DTXSID801123825

Synonyms:SCHEMBL2650279;KUHIVVOEVYDSOS-UHFFFAOYSA-N;DTXSID801123825;3'-fluoro-5'-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile;462652-02-4;3'-fluoro-5'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile;3'-Fluoro-5'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1'-biphenyl]-2-carbonitrile

Suppliers and Price of 3'-Fluoro-5'-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3'-Fluoro-5'-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:323.1492872
Heavy Atom Count:24
Complexity:499

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)C3=CC=CC=C3C#N

Technology Process of 3'-Fluoro-5'-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile

There total 6 articles about 3'-Fluoro-5'-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)biphenyl-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:

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

: 73183-34-3
bis(pinacol)diborane

: 462652-02-4
3'-fluoro-5'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile

Guidance literature:: With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; dimethyl sulfoxide; In 1,4-dioxane; at 90 ℃; for 16h;
DOI:10.1021/jm051065l

Reference yield:

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

: 462652-02-4
3'-fluoro-5'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

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

2: AcOK; dichloro[1,1'-bis(diphenylphosphino)ferrocene]Pd(II)*CH₂Cl₂; DMSO / dioxane / 16 h / 90 °C

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; hydrogen bromide; potassium acetate; dimethyl sulfoxide; copper(I) bromide; sodium nitrite; In 1,4-dioxane; 1: Sandmeyer reaction / 2: Miyaura reaction;
DOI:10.1021/jm051065l

Reference yield:

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

: 462652-02-4
3'-fluoro-5'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

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

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

3: AcOK; dichloro[1,1'-bis(diphenylphosphino)ferrocene]Pd(II)*CH₂Cl₂; DMSO / dioxane / 16 h / 90 °C

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; hydrogen bromide; potassium acetate; dimethyl sulfoxide; tin(ll) chloride; copper(I) bromide; sodium nitrite; In tetrahydrofuran; 1,4-dioxane; ethanol; 2: Sandmeyer reaction / 3: Miyaura reaction;
DOI:10.1021/jm051065l