3-Acetamidophenylboronic Acid
Product Information
Molecular Formula
C8H10NO3B
Molecular Weight
178.98
Description
Reactant involved in: Suzuki-Miyaura coupling reactions; Trifluoromethylation. Reactant involved in the synthesis of a variety of inhibitors including: NR2B subtype of NMDA receptor antagonists for antidepressant activity; Biphenylylmethylimidazole derivatives for use as 17,20-lyase inhibitors; (Indolyl)-3,5-substituted benzene analogs with antimitotic and antitumor activity; Substituted pyrrolidines and tetrahydrofurans as AMPA receptor positive modulators.
Synonyms
(3-acetamidophenyl)boronic acid; (3-acetamidophenyl)boronic acid
IUPAC Name
(3-acetamidophenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)NC(=O)C)(O)O
InChI
InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key
IBTSWKLSEOGJGJ-UHFFFAOYSA-N
Melting Point
135 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.23 g/cm3
LogP
-0.60220
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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
179.0753733 g/mol
Monoisotopic Mass
179.0753733 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
186
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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| AU-2021103877-A4 | Virtual screening method for small molecular reversible inhibitors of flavobacterium alkaline metalloproteinase | 2021-07-05 |
| WO-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| CN-111675626-A | Ionone alkaloid derivative and medical application thereof | 2020-03-19 |
| WO-2021178780-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2020-03-06 |
| CN-113321669-A | Sulfimide metal salt, preparation method and application thereof | 2020-02-28 |
| US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| 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 |
| WO-2020205991-A1 | TOPOISOMERASE II-alpha INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME | 2019-04-01 |
