2,6-Dimethoxy-3-pyridineboronic Acid

Inquiry

Molecular Formula:

C7H10NO4B

Molecular Weight:

182.97

CAS Number:

221006-70-8

Catalog Number:

221006-70-8

Product Information

Molecular Formula:

C7H10NO4B

Molecular Weight:

182.97

Description

Reactant for: Preparation of benzopyranone derivatives as positive GABAA receptor modulators; Preparation of pyrazine derivatives as orally active corticotropin releasing factor-1 receptor antagonists; Microwave-enhanced synthesis of trisubstituted pyridazines; Preparation of biaryl derivatives via palladium-catalyzed Suzuki-Miyaura cross-coupling reaction with aryl- or heteroaryl halides; Preparation of 3-arylpyridines via palladium-P Phos catalyzed Suzuki cross coupling. May contain varying amounts of anhydride.

Synonyms

(2,6-dimethoxy-3-pyridinyl)boronic acid; (2,6-dimethoxypyridin-3-yl)boronic acid

IUPAC Name

(2,6-dimethoxypyridin-3-yl)boronic acid

Canonical SMILES

B(C1=C(N=C(C=C1)OC)OC)(O)O

InChI

InChI=1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3

InChI Key

ADGHSWFUZUADDH-UHFFFAOYSA-N

Boiling Point

341.2 °C at 760 mmHg

Melting Point

100-117 °C

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.26 g/cm³

Storage

2-8 °C

LogP

-1.22140

Safety Information

Hazards

H315 - H319

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

183.0702880 g/mol

Monoisotopic Mass

183.0702880 g/mol

Topological Polar Surface Area

71.8Å²

Heavy Atom Count

Formal Charge

Complexity

157

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
WO-2020186220-A1	Compounds as inhibitors of macrophage migration inhibitory factor	2019-03-13
KR-20190137711-A	Novel compounds and pharmaceutical composition comprising the same	2018-06-01
WO-2019231290-A1	Novel compound and pharmaceutical composition comprising same	2018-06-01
AU-2019279441-A1	Novel compound and pharmaceutical composition comprising same	2018-06-01
CA-3100308-A1	Novel compound and pharmaceutical composition comprising the same	2018-06-01
CN-112004807-A	Novel compounds and pharmaceutical compositions comprising said compounds	2018-06-01
IL-276783-D0	The composition and pharmaceutical compound containing it	2018-06-01
EP-3805210-A1	Novel compound and pharmaceutical composition comprising same	2018-06-01
US-2021078987-A1	Novel compound and pharmaceutical composition comprising same	2018-06-01
KR-102308713-B1	Novel compounds and pharmaceutical composition comprising the same	2018-06-01

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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