2,6-Difluoro-4-methoxyphenylboronic acid
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
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
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
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
188.0456306 g/mol
Monoisotopic Mass
188.0456306 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
158
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
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 |
