Boronic acid,B-(2,6-difluoro-3-methoxyphenyl)-

Product Information

Molecular Formula:
C7H7 B F2 O3
Description
Boronic acid, B-(2,6-difluoro-3-methoxyphenyl)- is an indispensable compound extensively employed in the biomedical sector. It manifests as a crucial intermediary in the fabrication of multifarious pharmacological agents, remarkably directed towards maladies pertaining to inflammatory conditions and malignancy advancement. Owing to its unparalleled chemical attributes, this product exhibits auspicious prospects for the innovation of novel therapeutic interventions.
Synonyms
2,6-Difluoro-3-methoxyphenylboronic acid; 2,6-difluoro-3-methoxybenzeneboronic acid; (2,6-difluoro-3-methoxyphenyl)boronic acid; Boronic acid,B-(2,6-difluoro-3-methoxyphenyl)-; 2,6-Difluoro-5-methoxyphenylboronic acid; 2,6-Difluoro-3-methoxybenzeneboronicacid; (2,6-difluoro-3-methoxy-phenyl)boronic Acid; 2,6-Difluoro-3-methoxyphenylboronicacid; 2,6-difluoro-3-methoxy-phenylboronic acid; 2,6-difluoro-3-methoxyphenyl boronic acid; 2,6-Difluoro-3-methoxyphenylboronic Acid (contains varying amounts of Anhydride)
IUPAC Name
(2,6-difluoro-3-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1F)OC)F)(O)O
InChI
InChI=1S/C7H7BF2O3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
InChI Key
WSRQWTCBDHWVGY-UHFFFAOYSA-N
Boiling Point
332.7°C at 760 mmHg
Melting Point
112-114°C
Purity
98%
Density
1.35g/cm3
Appearance
White to off-white powder, crystals, crystalline powder and/or chunks

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
170
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
AU-2018340505-A1 Novel heterocyclic compounds as modulators of mGluR7 2017-09-26
CA-3075954-A1 Novel heterocyclic compounds as modulators of mglur7 2017-09-26
CN-111148744-A Novel heterocyclic compounds as MGLUR7 modulators 2017-09-26
EP-3459939-A1 Novel heterocyclic compounds as modulators of mglur7 2017-09-26
EP-3672950-A1 Novel heterocyclic compounds as modulators of mglur7 2017-09-26
WO-2019063596-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 2017-09-26
US-2020231563-A1 Novel heterocyclic compounds as modulators of mglur7 2017-09-26
US-2016009726-A1 Bicyclic heteroaromatic carboxamide compounds useful as pim kinase inhibitors 2014-07-14
US-9822124-B2 Bicyclic heteroaromatic carboxamide compounds useful as Pim kinase inhibitors 2014-07-14
WO-2016010897-A1 Bicyclic heteroaromatic carboxamide compounds useful as pim kinase inhibitors 2014-07-14
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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