(3-methoxy-5-(trifluoromethyl)phenyl)boronic acid
Product Information
Molecular Formula
C8H8BF3O3
Molecular Weight
219.95
Description
3-Methoxy-5-(trifluoromethyl)phenyl Boronic Acid is an indispensable drug intermediate that has been extensively studied in the field of synthetic protein kinase inhibitors.
Synonyms
3-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID; (3-methoxy-5-(trifluoromethyl)phenyl)boronic acid; [3-methoxy-5-(trifluoromethyl)phenyl]boronic acid; Boronic acid, [3-methoxy-5-(trifluoromethyl)phenyl]-; 3-Methoxy-5-(trifluoromethyl)phenylboronic acid; 3-Methoxy-5-trifluoromethylphenylboronic acid; 3-Methoxy-5-(trifluoromethyl)benzeneboronicacid; 3-Methoxy-5-( trifluoromethyl)benzeneboronic acid; 3-Methoxy-5-(trifluoromethyl)phenylboronicacid; I12048; EN300-5478159; A842011; J-512768; (3-methoxy-5-(trifluoromethyl)phenyl)boronic acid; 3-Methoxy-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride); [3-methoxy-5-(trifluoromethyl)phenyl]boronic acid; 3-Methoxy-5-(trifluoromethyl)phenylboronic acid
IUPAC Name
[3-methoxy-5-(trifluoromethyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC(=C1)OC)C(F)(F)F)(O)O
InChI
InChI=1S/C8H8BF3O3/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3
InChI Key
GKEMDZIGTOAZRK-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
220.0518588 g/mol
Monoisotopic Mass
220.0518588 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
210
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 |
|---|---|---|
| US-10668067-B2 | Pyridine sulfonamides | 2016-07-20 |
| US-2019167682-A1 | Pyridine sulfonamides | 2016-07-20 |
| WO-2017213210-A1 | Heterocyclic compound | 2016-06-10 |
| AU-2016341445-A1 | 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases | 2015-10-23 |
| EP-3365335-A1 | 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2h)-one compounds as inhibitors of fgfr tyrosine kinases | 2015-10-23 |
| US-10208024-B2 | 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases | 2015-10-23 |
| US-2017260168-A1 | 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2h)-one compounds as inhibitors of fgfr tyrosine kinases | 2015-10-23 |
| US-2019300511-A1 | 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2h)-one compounds as inhibitors of fgfr tyrosine kinases | 2015-10-23 |
| WO-2017070708-A1 | 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2h)-one compounds as inhibitors of fgfr tyrosine kinases | 2015-10-23 |
| AU-2016341445-B2 | 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases | 2015-10-23 |
