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{3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenyl}boronic acid

{3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenyl}boronic acid

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Molecular Formula:

C15H15BF2O5

Molecular Weight:

324.084

CAS Number:

849062-01-7

Catalog Number:

849062-01-7

Product Information

Molecular Formula:

C15H15BF2O5

Molecular Weight:

324.084

Description

{3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenyl}boronic acid is a boronic acid derivative commonly used in biomedical research. Notably, it plays a crucial role in the discovery and development of novel anticancer drugs due to its ability to react with organic compounds in Suzuki coupling reactions.

Synonyms

2,6-Difluoro-3-(3',5'-dimethoxybenzyloxy)phenylboronic acid; (3-((3,5-DIMETHOXYBENZYL)OXY)-2,6-DIFLUOROPHENYL)BORONIC ACID; [3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenyl]boronic acid; 2,6-DIFLUORO-3-(3',5'-DIMETHOXYBENZYLOX&; {3-[(3,5-Dimethoxyphenyl)methoxy]-2,6-difluorophenyl}boronic acid

IUPAC Name

[3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenyl]boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1F)OCC2=CC(=CC(=C2)OC)OC)F)(O)O

InChI

InChI=1S/C15H15BF2O5/c1-21-10-5-9(6-11(7-10)22-2)8-23-13-4-3-12(17)14(15(13)18)16(19)20/h3-7,19-20H,8H2,1-2H3

InChI Key

CKMBETHVNGWKIN-UHFFFAOYSA-N

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

324.0980601 g/mol

Monoisotopic Mass

324.0980601 g/mol

Topological Polar Surface Area

68.2Å²

Heavy Atom Count

Formal Charge

Complexity

351

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
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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