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2-(Methanesulfonylamino)phenylboronic Acid Pinacol Ester

2-(Methanesulfonylamino)phenylboronic Acid Pinacol Ester

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Molecular Formula:

C13H20NO4SB

Molecular Weight:

297.18

CAS Number:

380430-60-4

Catalog Number:

380430-60-4

Product Information

Molecular Formula:

C13H20NO4SB

Molecular Weight:

297.18

Description

2-(Methanesulfonylamino)phenylboronic Acid Pinacol Ester (CAS# 380430-60-4) is a useful research chemical.

Synonyms

N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide; N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

IUPAC Name

N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NS(=O)(=O)C

InChI

InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-8-6-7-9-11(10)15-20(5,16)17/h6-9,15H,1-5H3

InChI Key

ADAOINPTCZWNBZ-UHFFFAOYSA-N

Boiling Point

417.2 °C at 760 mmHg

Melting Point

130-134 °C (lit.)

Flash Point

Not applicable

Purity

97 %

Density

1.19 g/cm³

Appearance

Solid

LogP

2.51110

Safety Information

Hazards

H302

Precautionary Statement

P264, P270, P301+P312, P330, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

297.1206095 g/mol

Monoisotopic Mass

297.1206095 g/mol

Topological Polar Surface Area

73Å²

Heavy Atom Count

Formal Charge

Complexity

442

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-2951170-B1	Flap modulators	2013-02-04
EP-3070085-A1	Flap modulators	2013-02-04
EP-3070085-B1	Flap modulators	2013-02-04
EP-3495359-A1	Flap modulators	2013-02-04
ES-2706399-T3	Modulators of FLAP	2013-02-04
JP-2016508998-A	FLAP regulator	2013-02-04
JP-6424173-B2	FLAP regulator	2013-02-04
US-2014221311-A1	Flap modulators	2013-02-04
US-2015259357-A1	Flap modulators	2013-02-04
US-2015376212-A1	Flap modulators	2013-02-04

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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