2,6-Bis(trifluoromethyl)benzeneboronic acid
Product Information
Molecular Formula
C8H5BF6O2
Molecular Weight
257.93
Description
2,6-Bis(trifluoromethyl)benzeneboronic acid is a pharmaceutical keystone compound that habitually finds its utilisation in the intricate process of drug synthesis. Critically, it fosters formation of compounds crucial in scrutinizing and combating a plethora of diseases, with a notable emphasis on cancer and other grave health anomalies.
Synonyms
2,6-Bis(trifluoromethyl)phenylboronic acid; [2,6-bis(trifluoromethyl)phenyl]boronic Acid; Boronic acid, [2,6-bis(trifluoromethyl)phenyl]-; 2,6-Bis(trifluoromethyl)phenylboronicacid; 2,6-Bis(trifluoromethyl)benzeneboronic acid; (R)-2-BENZYL-SUCCINICACID1-BENZYLESTER4-TERT-BUTYLESTER
IUPAC Name
[2,6-bis(trifluoromethyl)phenyl]boronic acid
SMILES
B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O
InChI
InChI=1S/C8H5BF6O2/c10-7(11,12)4-2-1-3-5(8(13,14)15)6(4)9(16)17/h1-3,16-17H
InChI Key
WAMPGNNEOZGBHR-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
8
Rotatable Bond Count
1
Exact Mass
258.0286785 g/mol
Monoisotopic Mass
258.0286785 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
242
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 |
|---|---|---|
| WO-2021142115-A1 | Sanglifehrin analogs and uses thereof | 2020-01-09 |
| CN-108658826-B | Method for preparing vildagliptin | 2018-06-02 |
| CN-108503571-B | Synthetic method of vildagliptin | 2018-06-02 |
| US-10548856-B2 | Compounds and methods for modulating serotonin receptors in the periphery | 2015-05-19 |
| US-2018125798-A1 | Compounds and Methods for Modulating Serotonin Receptors in the Periphery | 2015-05-19 |
| US-2017081273-A1 | Serotonin Receptor-Targeting Compounds and Methods | 2014-05-19 |
| US-11021435-B2 | Serotonin receptor-targeting compounds and methods | 2014-05-19 |
| TW-201534593-A | Substituted alkyl carboxylic acid derivatives as GPR agonists | 2013-04-17 |
| WO-2014170842-A2 | Substituted alkyl carboxylic acid derivatives as gpr agonists | 2013-04-17 |
| US-2010254903-A1 | Substituted Aryl-Fluoroborates as Imaging Agents | 2007-07-24 |
