3-Formyl-2-methoxyphenylboronic acid

Inquiry

Molecular Formula:

C8H9BO4

Molecular Weight:

179.97

CAS Number:

480424-49-5

Catalog Number:

480424-49-5

Product Information

Molecular Formula:

C8H9BO4

Molecular Weight:

179.97

Description

Reactant for: Preparation of formyl-substituted aryl MIDA boronates; Preparation of indolylamino phenylthienopyridine carbonitrile PKCθ inhibitors.

Synonyms

(3-formyl-2-methoxyphenyl)boronic acid

IUPAC Name

(3-formyl-2-methoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H9BO4/c1-13-8-6(5-10)3-2-4-7(8)9(11)12/h2-5,11-12H,1H3

InChI Key

DUROSIJIMLRFHR-UHFFFAOYSA-N

Boiling Point

407.7 °C at 760 mmHg

Melting Point

124-128 °C

Purity

97 %

Density

1.25 g/cm³

Storage

2-8 °C

LogP

-0.81250

Safety Information

Precautionary Statement

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.0593889 g/mol

Monoisotopic Mass

180.0593889 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

174

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-2021050688-A1	Compounds and uses thereof	2019-09-10
JP-6884020-B2	Non-aqueous electrolyte for batteries and lithium secondary battery	2017-03-30
JP-2016095965-A	Non-aqueous electrolyte, power storage device including the same, and power storage device including the power storage device	2014-11-13
JP-2016056131-A	Method for producing carbon-carbon coupling product using solid catalyst	2014-09-10
CA-2789200-A1	Pharmaceutically active disubstituted triazine derivatives	2010-03-22
CA-2789200-C	Pharmaceutically active disubstituted triazine derivatives	2010-03-22
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05
AU-2010218224-A1	Soluble guanylate cyclase activators	2009-02-26

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)