4-Benzyloxy-3-chlorophenylboronic acid
Product Information
Molecular Formula
C13H12O3BCl
Molecular Weight
262.5
Description
4-Benzyloxy-3-chlorophenylboronic acid is an indispensable chemical entity within the biomedical field. It occupies a pivotal role owing to its multifaceted utility in tackling a plethora of ailments encompassing cancer, diabetes, and inflammation. Brought into action as an efficacious remedy, this highly versatile compound adeptly thwarts the pathological progression by substantiating a remarkable proficiency to hinder targeted enzymes.
Synonyms
AKOS BRN-0594; (3-CHLORO-4-BENZYLOXYPHENYL)BORONIC ACID; 4-BENZYLOXY-3-CHLOROPHENYLBORONIC ACID; 4-Benzyloxy-3-chlorophenylboro
IUPAC Name
(3-chloro-4-phenylmethoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)(O)O
InChI
InChI=1S/C13H12BClO3/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key
AYSMMNDQVZAXQY-UHFFFAOYSA-N
Melting Point
188-193 °C (lit.)
Purity
98%
Density
1.3 g/cm3
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
262.0568021 g/mol
Monoisotopic Mass
262.0568021 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
246
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-109206614-B | Reagent for detecting sugar chain-containing biomolecule and preparation method and application thereof | 2017-07-05 |
| CA-3008653-A1 | Bruton's tyrosine kinase inhibitors | 2015-10-14 |
| CN-108349940-A | Bruton's tyrosine kinase inhibitor | 2015-10-14 |
| EP-3414234-A1 | Bruton's tyrosine kinase inhibitors | 2015-10-14 |
| US-10358446-B2 | Bruton's tyrosine kinase inhibitors | 2015-10-14 |
| US-2018222904-A1 | Bruton's tyrosine kinase inhibitors | 2015-10-14 |
| WO-2017066014-A1 | Bruton's tyrosine kinase inhibitors | 2015-10-14 |
| CN-108349940-B | Bruton's tyrosine kinase inhibitors | 2015-10-14 |
| AU-2016314973-A1 | Fused heterocyclic compounds as S1P modulators | 2015-08-28 |
| CA-2996741-A1 | Fused heterocyclic compounds as s1p modulators | 2015-08-28 |
