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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)-

[4-(difluoromethoxy)-3-methylphenyl]boronic acid

FC(Oc1ccc(cc1C)B(O)O)F Request for Quotation
Chemical Name: [4-(difluoromethoxy)-3-methylphenyl]boronic acid
CAS Number: 958451-72-4
Product Number: AG00IJH0(AGN-PC-07B78D)
Synonyms:
MDL No: MFCD11036079
Molecular Formula: C8H9BF2O3
Molecular Weight: 201.9631

Identification/Properties

Computed Properties
Molecular Weight:
201.964g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
202.061g/mol
Monoisotopic Mass:
202.061g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
180
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


(4-(Difluoromethoxy)-3-methylphenyl)boronic acid is a versatile compound widely used in chemical synthesis as a valuable building block. Its unique structure incorporates a boronic acid functional group along with a difluoromethoxy and a methyl group, offering a range of reactivity and selectivity in various reactions.One of the key applications of this compound is in the field of cross-coupling reactions, particularly in Suzuki-Miyaura coupling. In this process, (4-(Difluoromethoxy)-3-methylphenyl)boronic acid can serve as a source of the phenyl group attached to the boron atom, allowing for the selective formation of carbon-carbon bonds with a variety of coupling partners, such as aryl halides or pseudohalides.Additionally, the difluoromethoxy group present in the molecule can impart unique properties to the final products, making them potentially useful in medicinal chemistry and agrochemical research. This group can influence the compound's bioavailability, metabolic stability, and overall pharmacokinetic profile, leading to the development of novel drug candidates or biologically active molecules.Overall, the incorporation of (4-(Difluoromethoxy)-3-methylphenyl)boronic acid in chemical synthesis offers synthetic chemists a valuable tool for the construction of complex molecular structures with tailored properties and functionality, making it a crucial component in the modern synthetic chemistry toolbox.