2,6-Difluoro-4-methoxyphenylboronic acid

Inquiry

Molecular Formula:

C7H7BF2O3

Molecular Weight:

187.94

CAS Number:

406482-20-0

Catalog Number:

406482-20-0

Product Information

Molecular Formula:

C7H7BF2O3

Molecular Weight:

187.94

Description

2,6-Difluoro-4-methoxyphenylboronic acid can be used:• To prepare a ligand N4Py2Ar2, which in turn is used to synthesize a Fe complex, employed in aromatic C−F hydroxylation reactions.• As a substrate in the study of copper-catalyzed trifluoromethylthiolation of boronic acids.• As a substrate in the preparation of a thio xylopyranoside as a potent antithrombotic agent.
Reactant involved in Suzuki and Stille coupling reactions for synthesis of antithrombotic drugs

Synonyms

(2,6-difluoro-4-methoxyphenyl)boronic acid; 2,6-difluoro-4-methoxy-phenyl-boronic acid; (2,6-Difluoro-4-methoxy-phenyl)boronic acid; 2,6-DIFLUORO-4-METHOXYBENZENEBORONIC ACID; 2 6-Difluoro-4-Methoxyphenylboronic Acid; 2,6-difluoro-4-methoxyphenyl boronic acid; Boronic acid, (2,6-difluoro-4-methoxyphenyl)-; 2,6-Difluoro-4-methoxyphenylboronic acid, >=95%

IUPAC Name

(2,6-difluoro-4-methoxyphenyl)boronic acid

Canonical SMILES

B(C1=C(C=C(C=C1F)OC)F)(O)O

InChI

InChI=1S/C7H7BF2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,11-12H,1H3

InChI Key

WVSZSFADEBGONQ-UHFFFAOYSA-N

Melting Point

125-130 °C (lit.)

Purity

≥95%

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

188.0456306 g/mol

Monoisotopic Mass

188.0456306 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

158

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-112794860-A	Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application	2021-03-24
CN-112794860-B	Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application	2021-03-24
WO-2020126952-A1	Imidazopyrazine derivatives as antibacterial agents	2018-12-17
WO-2020126953-A1	Novel imidazopyrazine derivatives as antibacterials	2018-12-17
WO-2020126954-A1	Novel imidazopyrazine derivatives	2018-12-17
WO-2020126956-A1	Imidazopyrazine derivatives as antibacterial agents	2018-12-17
WO-2020127075-A1	Imidazopyrazine derivatives as antibacterials	2018-12-17
CN-113164771-A	Imidazopyrazine derivatives as antibacterial agents	2018-12-17
CN-113195496-A	Imidazopyrazine derivatives as antibacterial agents	2018-12-17
CN-113195497-A	Novel imidazopyrazine derivatives	2018-12-17

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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