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3-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester

3-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester

Inquiry

Molecular Formula:

C15H22BNO4

CAS Number:

957061-17-5

Catalog Number:

957061-17-5

Product Information

Molecular Formula:

C15H22BNO4

Description

3-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester is an extraordinary compound extensively applied in the realm of biomedicine and stands as a pivotal agent in the mitigation of select maladies. Exhibiting an unparalleled molecular configuration, its utility thrives in the realm of synthesizing a myriad of pharmacological interventions, chiefly those tailored to interact with precise enzymes or receptors implicated in ailments such as neoplasms, hyperglycemia, or immune responses.

Synonyms

3-(N,O-Dimethylhydroxylaminocarbonyl)phenylboronic acid, pinacol ester

IUPAC Name

N-methoxy-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Canonical SMILES

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

InChI

InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-9-7-8-11(10-12)13(18)17(5)19-6/h7-10H,1-6H3

InChI Key

ATIMPABZLDHDMN-UHFFFAOYSA-N

Melting Point

70-74 °C

Flash Point

Not applicable

Purity

97%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

291.1641883 g/mol

Monoisotopic Mass

291.1641883 g/mol

Topological Polar Surface Area

48Å²

Heavy Atom Count

Formal Charge

Complexity

383

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
US-2014018317-A1	Targeted nitroxide agents	2011-02-18
US-2016068556-A1	Targeted nitroxide agents	2011-02-18
US-9217000-B2	Targeted nitroxide agents	2011-02-18
US-9732105-B2	Targeted nitroxide agents	2011-02-18
US-2012207687-A1	Topical formulations of targeted nitroxide agents	2011-01-14
US-2020000793-A1	Topical formulations of targeted nitroxide agents	2011-01-14
US-2014199368-A1	Intraesophageal administration of targeted nitroxide agents for protection against ionizing irradiation-induced esophagitis	2010-11-15
US-2019210969-A1	Intraesophageal administration of targeted nitroxide agents for protection against ionizing irradiation-induced esophagitis	2010-11-15
EP-2487175-A1	Pharmaceutical product containing aromatic heterocyclic compound	2009-10-06
US-2012196854-A1	Pharmaceutical composition comprising aromatic heterocyclic compound	2009-10-06

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-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester

Product Information

Computed Properties

Patents

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