2,6-Dimethoxyphenylboronic Acid

Name: 2,6-Dimethoxyphenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C8H11O4B

Molecular Weight:

181.98

CAS Number:

23112-96-1

Catalog Number:

23112-96-1

Product Information

Molecular Formula:

C8H11O4B

Molecular Weight:

181.98

Description

2,6-Dimethoxyphenylboronic acid can be used as a reagent in: The palladium-catalyzed Suzuki-Miyaura coupling reaction to construct carbon-carbon bond; The synthesis of 2H-imidazo[1,5-a]pyridin-4-ium bromides, which are utilized as precursors for the preparation of N-heterocyclic carbene ligands; The preparation of monosubstituted benzothiazoloquinazolinones as potential monoamine oxidases inhibitors. Reactant for: Suzuki-Miyaura reactions.

Synonyms

(2,6-dimethoxyphenyl)boronic acid; (2,6-dimethoxyphenyl)boronic acid

IUPAC Name

(2,6-dimethoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H11BO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5,10-11H,1-2H3

InChI Key

BKWVXPCYDRURMK-UHFFFAOYSA-N

Boiling Point

372.8 °C at 760 mmHg

Melting Point

110-112 °C (lit.)

Flash Point

Not applicable

Purity

≥ 97 %

Density

1.19 g/cm³

LogP

-0.61640

Safety Information

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

182.0750390 g/mol

Monoisotopic Mass

182.0750390 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

141

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

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