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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

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