3-Fluoro-4-methoxyphenylboronic Acid

Product Information

Molecular Formula:
C7H8FO3B
Molecular Weight:
169.95
Description
Reactant for: Preparation of hydroxyphenylnaphthols as 17ß-hydroxysteroid dehydrogenase Type 2 inhibitors; Regioselective Suzuki coupling; Ruthenium-catalyzed arylation reactions; Synthesis of amino-trimethoxyphenyl-aryl thiazoles as microtubule inhibitors and potential antitumors; Rhodium catalyzed cyanation; Petasis reaction.
Synonyms
(3-fluoro-4-methoxyphenyl)boronic acid; (3-fluoro-4-methoxyphenyl)boronic acid
IUPAC Name
(3-fluoro-4-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OC)F)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
InChI Key
IILGLPAJXQMKGQ-UHFFFAOYSA-N
Boiling Point
318.1 °C at 760 mmHg
Melting Point
206-211 °C (lit.)
Purity
≥ 95 %
Density
1.26 g/cm3
LogP
-0.48590

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
170.0550524 g/mol
Monoisotopic Mass
170.0550524 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145
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-113861188-A Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 2021-08-23
WO-2022026892-A1 Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers 2020-07-31
WO-2021249896-A1 Novel imidazopyrazine derivatives 2020-06-09
WO-2021249893-A1 Novel imidazo-pyrazine derivatives 2020-06-08
CN-111518058-A Oxathiazine compound and application thereof 2020-05-29
CN-111518058-B Oxathiazine compound and application thereof 2020-05-29
CN-111559990-A Micromolecular oxathiazine derivative and application thereof 2020-05-29
CN-111559990-B Micromolecular oxathiazine derivative and application thereof 2020-05-29
WO-2021238587-A1 Micromolecular oxathiazine derivative and use thereof 2020-05-29
WO-2021238588-A1 Oxathiazine compound and use thereof 2020-05-29
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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