4-Benzyloxy-3-chlorophenylboronic acid

Inquiry

Molecular Formula:

C13H12O3BCl

Molecular Weight:

262.5

CAS Number:

845551-44-2

Catalog Number:

845551-44-2

Product Information

Molecular Formula:

C13H12O3BCl

Molecular Weight:

262.5

Description

4-Benzyloxy-3-chlorophenylboronic acid is an indispensable chemical entity within the biomedical field. It occupies a pivotal role owing to its multifaceted utility in tackling a plethora of ailments encompassing cancer, diabetes, and inflammation. Brought into action as an efficacious remedy, this highly versatile compound adeptly thwarts the pathological progression by substantiating a remarkable proficiency to hinder targeted enzymes.

Synonyms

AKOS BRN-0594; (3-CHLORO-4-BENZYLOXYPHENYL)BORONIC ACID; 4-BENZYLOXY-3-CHLOROPHENYLBORONIC ACID; 4-Benzyloxy-3-chlorophenylboro

IUPAC Name

(3-chloro-4-phenylmethoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)(O)O

InChI

InChI=1S/C13H12BClO3/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2

InChI Key

AYSMMNDQVZAXQY-UHFFFAOYSA-N

Melting Point

188-193 °C (lit.)

Purity

98%

Density

1.3 g/cm3

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

262.0568021 g/mol

Monoisotopic Mass

262.0568021 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

246

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
CN-109206614-B	Reagent for detecting sugar chain-containing biomolecule and preparation method and application thereof	2017-07-05
CA-3008653-A1	Bruton's tyrosine kinase inhibitors	2015-10-14
CN-108349940-A	Bruton's tyrosine kinase inhibitor	2015-10-14
EP-3414234-A1	Bruton's tyrosine kinase inhibitors	2015-10-14
US-10358446-B2	Bruton's tyrosine kinase inhibitors	2015-10-14
US-2018222904-A1	Bruton's tyrosine kinase inhibitors	2015-10-14
WO-2017066014-A1	Bruton's tyrosine kinase inhibitors	2015-10-14
CN-108349940-B	Bruton's tyrosine kinase inhibitors	2015-10-14
AU-2016314973-A1	Fused heterocyclic compounds as S1P modulators	2015-08-28
CA-2996741-A1	Fused heterocyclic compounds as s1p modulators	2015-08-28

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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