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3-chloro-4-hydroxy-5-methoxyphenylboronic acid, pinacol ester

3-chloro-4-hydroxy-5-methoxyphenylboronic acid, pinacol ester

Inquiry

Molecular Formula:

C13H18BClO4

Molecular Weight:

284.54

Product Information

Molecular Formula:

C13H18BClO4

Molecular Weight:

284.54

Description

3-Chloro-4-hydroxy-5-methoxyphenylboronic acid, pinacol ester is a versatile compound of paramount importance, finds its profound utility within the biomedical landscape, primarily serving as a quintessential agent facilitating the advancement of innovative pharmaceutical formulations. In the realm of therapeutic innovation, this remarkable compound ingeniously orchestrates the intricate synthesis of diverse pharmacotherapeutic agents directed against formidable afflictions encompassing malignant neoplasms, diabetes mellitus, and immune-mediated pathological processes.

Synonyms

2-Chloro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 3-CHLORO-4-HYDROXY-5-METHOXYPHENYLBORONIC ACID, PINACOL ESTER; 3-Chloro-4-hydroxy-5-methoxyphenylboronic acid pinacol ester; PHENOL, 2-CHLORO-6-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-; 3-Chloro-4-hydroxy-5-methoxyphenylboronic acid, pinacol ester; 3-Chloro-4-hydroxy-5-methoxyphenylboronicacid, pinacol ester

IUPAC Name

2-chloro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)O)OC

InChI

InChI=1S/C13H18BClO4/c1-12(2)13(3,4)19-14(18-12)8-6-9(15)11(16)10(7-8)17-5/h6-7,16H,1-5H3

InChI Key

XBEJPOZGAPQFPL-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

284.0986669 g/mol

Monoisotopic Mass

284.0986669 g/mol

Topological Polar Surface Area

47.9Å²

Heavy Atom Count

Formal Charge

Complexity

321

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
EP-2876109-A1	Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same	2012-07-23
KR-20140018795-A	Furan-containing fused ring compound or salt thereof and pharmaceutical composition comprising same	2012-07-23
US-2015191478-A1	Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same	2012-07-23
US-9493478-B2	Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same	2012-07-23
WO-2014017803-A1	Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same	2012-07-23
CA-2857346-A1	1,5-naphthyridine derivatives and melk inhibitors containing the same	2012-01-19
CA-2857346-C	1,5-naphthyridine derivatives and melk inhibitors containing the same	2012-01-19
DK-2753329-T3	1,5-NAPHTHYRIDINE INGREDIENTS AS MILK INHIBITORS	2012-01-19
EP-2753329-B1	1,5-naphthyridine derivatives as melk inhibitors	2012-01-19
ES-2642720-T3	1,5-Naphthyridine derivatives as MELK inhibitors	2012-01-19

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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3-chloro-4-hydroxy-5-methoxyphenylboronic acid, pinacol ester

Product Information

Computed Properties

Patents

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