3-Bromo-2-methoxy-5-methylphenylboronic acid

Inquiry

Molecular Formula:

C8H10BBrO3

Molecular Weight:

244.88

CAS Number:

870717-99-0

Catalog Number:

870717-99-0

Product Information

Molecular Formula:

C8H10BBrO3

Molecular Weight:

244.88

Description

3-Bromo-2-methoxy-5-methylphenylboronic acid is a valuable compound utilized in the field of biomedicine. It acts as a crucial reagent in medicinal chemistry by participating in boronate ester formation enabling the synthesis of potential drugs. The compound demonstrates efficacy in treating various diseases such as cancer, inflammation, and metabolic disorders. Its unique chemical structure and potential therapeutic applications make it a significant tool in biomedical research and drug development.

Synonyms

3-Bromo-5-methyl-2-methoxyphenylboronic acid

IUPAC Name

(3-bromo-2-methoxy-5-methylphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1OC)Br)C)(O)O

InChI

InChI=1S/C8H10BBrO3/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4,11-12H,1-2H3

InChI Key

WHQCYDMSPACJBE-UHFFFAOYSA-N

Melting Point

102-106 °C (lit.)

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

243.99064 g/mol

Monoisotopic Mass

243.99064 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

168

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-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05
EP-2059227-A2	Polymer systems for lung volume reduction therapy	2006-09-26
US-2010040538-A1	Polymer Systems for Lung Volume Reduction Therapy	2006-09-26
US-8361484-B2	Polymer systems for lung volume reduction therapy	2006-09-26
WO-2008039827-A2	Polymer systems for lung volume reduction therapy	2006-09-26

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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