3-(Aminocarbonyl)phenylboronic Acid

Product Information

Molecular Formula:
C7H8NO3B
Molecular Weight:
164.95
Description
Reactant involved in the synthesis of a variety of inhibitors including: Orally active phosphodiesterase 10A inhibitors; Pyrimidine derivatives as TpI2 kinase inhibitors; Peptidomimetic inhibitors of STAT3 protein. Reactant involved in: Oxidative cross-coupling with mercaptoacetylenes; Trifluoromethylation via a Collidine trifluoromethylating agent; Suzuki cross-coupling reactions.
Synonyms
(3-carbamoylphenyl)boronic acid; (3-carbamoylphenyl)boronic acid
IUPAC Name
(3-carbamoylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)C(=O)N)(O)O
InChI
InChI=1S/C7H8BNO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H2,9,10)
InChI Key
WDGWHKRJEBENCE-UHFFFAOYSA-N
Boiling Point
408.1 °C at 760 mmHg
Melting Point
221-226 °C
Flash Point
Not applicable
Density
1.32 g/cm3
Storage
2-8 °C
LogP
-0.83440

Safety Information

Hazards
H302
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
165.0597233 g/mol
Monoisotopic Mass
165.0597233 g/mol
Topological Polar Surface Area
83.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
174
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
CN-114099416-A Multifunctional injectable hydrogel with microenvironment response and preparation method and application thereof 2021-10-28
WO-2021223756-A1 Injectable hydrogel having anti-inflammatory and repair-promoting function, preparation method therefor and application thereof in heart repair 2020-05-08
WO-2021113263-A1 Crf receptor antagonists and methods of use 2019-12-04
JP-2021007389-A 4-Amino Antipyrin-Containing Subcomposition for Saccharified Protein Measuring Reagent Containing Stabilizer, Saccharified Protein Measuring Reagent, Saccharified Protein Measuring Method, Stabilizing 4-Amino Antipyrin-Containing Subcomposition for Saccharified Protein Measuring Reagent , And a method for preserving 4-aminoantipyrine-containing partial compositions for glycated protein measurement reagents. 2019-07-01
CN-109289040-B Preparation method of oral insulin preparation with medicinal mulberry leaf polysaccharide as carrier 2018-10-19
US-2020003773-A1 Optical detection of biological components 2018-04-05
WO-2019173761-A1 C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same 2018-03-09
US-2021101872-A1 C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same 2018-03-09
WO-2019106087-A1 Ampk inhibitors 2017-11-29
WO-2019054386-A1 HETEROCYCLIC COMPOUND OR SALT THEREOF, GPR35 AGONIST AND PHARMACEUTICAL COMPOSITION 2017-09-12
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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