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  2. 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

N#Cc1cc(F)cc(c1)B1OC(C(O1)(C)C)(C)C Request for Quotation
Chemical Name: 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number: 935685-88-4
Product Number: AG00GUAB(AGN-PC-07XTGF)
Synonyms:
MDL No:
Molecular Formula: C13H15BFNO2
Molecular Weight: 247.0731

Identification/Properties

Computed Properties
Molecular Weight:
247.076g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
247.118g/mol
Monoisotopic Mass:
247.118g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
360
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile, when used in chemical synthesis, serves as a versatile building block for the construction of various organic compounds. Its unique structure containing a fluorine atom and a boron-containing moiety makes it a valuable reagent in modern synthetic chemistry. This compound can be utilized in palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura coupling, to form complex molecules with desired functionality. Additionally, the presence of the benzonitrile group enables further derivatization through various functional group transformations, expanding its synthetic utility in the preparation of pharmaceuticals, agrochemicals, and materials science applications.