4-(2-Chlorobenzyloxy)-3,5-dimethylphenylboronic acid
Product Information
Molecular Formula
C15H16BClO3
Molecular Weight
290.55
Description
4-(2-Chlorobenzyloxy)-3,5-dimethylphenylboronic acid is a versatile compound utilized in the biomedical industry. It exhibits promising potential in the development of drugs to treat various diseases. This product can be employed as a key intermediate in the synthesis of pharmaceutical agents targeting specific receptors or enzymes involved in the treatment of certain cancers, inflammatory disorders, or metabolic conditions.
Synonyms
(4-((2-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid; [4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid; 4-(2'-Chlorobenzyloxy)-3,5-dimethylphen&; {4-[(2-Chlorophenyl)methoxy]-3,5-dimethylphenyl}boronic acid; (4-((2-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronicacid; 4-(2(2)-Chlorobenzyloxy)-3,5-dimethylphenylboronic acid
IUPAC Name
[4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
SMILES
B(C1=CC(=C(C(=C1)C)OCC2=CC=CC=C2Cl)C)(O)O
InChI
InChI=1S/C15H16BClO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-5-3-4-6-14(12)17/h3-8,18-19H,9H2,1-2H3
InChI Key
UDKYOMYSPIEDTK-UHFFFAOYSA-N
Melting Point
234-238 °C (lit.)
Safety Information
Hazards
H315-H319-H335-H413
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
290.0881022 g/mol
Monoisotopic Mass
290.0881022 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
291
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 |
|---|---|---|
| AU-2018273599-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin E2, a method of production thereof and use thereof | 2017-05-24 |
| CA-3058795-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| CZ-308052-B6 | Polysubstituted pyrimidines | 2017-05-24 |
| EP-3630730-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| US-2020199080-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| WO-2018215003-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| AU-2018273599-B2 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin E2, a method of production thereof and use thereof | 2017-05-24 |
| EP-3630730-B1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| US-11111219-B2 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin E2, a method of production thereof and use thereof | 2017-05-24 |
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
