3-TRIFLUOROMETHYL-4-METHOXY-PHENYLBORONIC ACID
Product Information
Molecular Formula
C8H8O3BF3
Molecular Weight
219.95
Description
3-TRIFLUOROMETHYL-4-METHOXY-PHENYLBORONIC ACID is an indispensable compound in the field of biomedicine. It frequently assumes the status of a pivotal cornerstone in the construction of medicinal compounds aimed at combatting afflictions such as cancer, diabetes, inflammation, and neurodegenerative maladies. The distinctive chemical characteristics exhibited by this compound bestow upon it an irreplaceable role in the intricate endeavors encompassing drug exploration and formulation.
Synonyms
3-TRIFLUOROMETHYL-4-METHOXY-PHENYLBORONIC ACID; 4-METHOXY-3-TRIFLUOROMETHYLPHENYLBORONIC ACID; 4-METHOXY-3-(TRIFLUOROMETHYL)BENZENEBORONIC ACID; 4-Methoxy-3-(trifluoromethyl)benzeneboronic acid 98%; 4-Methoxy-3-(trifluoromethyl)benzeneboronicacid98%
IUPAC Name
[4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
SMILES
B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
InChI
InChI=1S/C8H8BF3O3/c1-15-7-3-2-5(9(13)14)4-6(7)8(10,11)12/h2-4,13-14H,1H3
InChI Key
BUSMBMGODABSIN-UHFFFAOYSA-N
Boiling Point
321.6°C at 760mmHg
Melting Point
198-202°C
Flash Point
Not applicable
Purity
98%
Density
1.36g/cm3
Storage
Keep Cold
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 |
|---|---|---|
| CN-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| WO-2021130732-A1 | Antibacterial quinolines | 2019-12-27 |
| WO-2019189766-A1 | Novel biaryl amide derivative | 2018-03-30 |
| JP-WO2019189766-A1 | New biaryl amide derivative | 2018-03-30 |
| EP-3356330-A1 | Biaryl kinase inhibitors | 2015-10-01 |
| EP-3356330-B1 | Biaryl kinase inhibitors | 2015-10-01 |
| EP-3356340-A1 | Biaryl kinase inhibitors | 2015-10-01 |
