4-Ethoxy-2-methylphenylboronic acid

Inquiry

Molecular Formula:

C9H13O3B

Molecular Weight:

180.01

CAS Number:

313545-31-2

Catalog Number:

313545-31-2

Product Information

Molecular Formula:

C9H13O3B

Molecular Weight:

180.01

Description

4-Ethoxy-2-methylphenylboronic acid is a compound of utmost importance in the biomedical sector and showcases a promising potential as a drug candidate in tackling specific maladies. Owning a boronic acid moiety, it emerges as a pivotal mediator in fabricating diverse pharmaceutical entities that selectively focus on distinct molecular elements or receptors implicated in pathological progressions. Its multifarious utilities render it an indispensable apparatus for scientific investigators and pharmaceutical corporations engrossed in unraveling novel curatives and propelling therapeutic innovation.

Synonyms

4-Ethoxy-2-methylbenzeneboronic acid 98%; 5-Ethoxytoluene-2-boronic acid

IUPAC Name

(4-ethoxy-2-methylphenyl)boronic acid

Canonical SMILES

B(C1=C(C=C(C=C1)OCC)C)(O)O

InChI

InChI=1S/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3

InChI Key

MBEQXBKSJCOKJF-UHFFFAOYSA-N

Boiling Point

338.3°C at 760mmHg

Melting Point

163-168°C(lit.)

Purity

97%

Density

1.11g/cm3

Storage

Keep Cold

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.0957744 g/mol

Monoisotopic Mass

180.0957744 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

152

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
CA-2943363-A1	Anti-fibrotic pyridinones	2014-04-02
EP-3126362-A1	Anti-fibrotic pyridinones	2014-04-02
JP-2017512784-A	Antifibrotic pyridinone	2014-04-02
JP-2019070047-A	Antifibrotic pyridinone	2014-04-02
JP-6525437-B2	Antifibrotic pyridinone	2014-04-02
KR-20160138289-A	Anti-fibrotic pyridinones	2014-04-02
RU-2692485-C2	Antifibrous pyridinones	2014-04-02
US-10233195-B2	Anti-fibrotic pyridinones	2014-04-02
US-10544161-B2	Anti-fibrotic pyridinones	2014-04-02
US-2017121345-A1	Anti-fibrotic pyridinones	2014-04-02

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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4-Ethoxy-2-methylphenylboronic acid

Product Information

Computed Properties

Patents

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