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
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 |
