2-(Methanesulfonylamino)phenylboronic Acid Pinacol Ester

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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
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
297.1206095 g/mol
Monoisotopic Mass
297.1206095 g/mol
Topological Polar Surface Area
73Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
442
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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