2-(Trifluoromethoxy)phenylboronic Acid

Product Information

Molecular Formula:
C7H6F3O3B
Molecular Weight:
205.93
Description
Reactant for: Preparation of imidazo[1,5-a]pyrido[3,2-e]pyrazines and imidazo[1,5-a]quinoxalines as orally active phosphodiesterase 10A inhibitors; Suzuki-Miyaura cross-coupling reactions; Preparation of 3-(5-arylbenzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]decenes as transient receptor potential melastatin 8 antagonists; Preparation of biaryl pyrazole carboxamides as sodium channel blockers for treatment of neuropathic pain; Preparation of biaryl oxazoles, imidazoles and thiazoles via condensations as sodium channel blockers and CYP inhibitors for treatment of neuropathic pain.
Synonyms
[2-(trifluoromethoxy)phenyl]boronic acid; [2-(trifluoromethoxy)phenyl]boronic acid
IUPAC Name
[2-(trifluoromethoxy)phenyl]boronic acid
Canonical SMILES
B(C1=CC=CC=C1OC(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H
InChI Key
AIJCNTOYZPKURP-UHFFFAOYSA-N
Boiling Point
267.2 °C at 760 mmHg
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.41 g/cm3
LogP
0.26500

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
206.0362087 g/mol
Monoisotopic Mass
206.0362087 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
186
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-113816978-A Diamine-boronic ester complex and preparation method and application thereof 2021-10-21
CN-113913193-A Liquid crystal compound with negative dielectric anisotropy, liquid crystal composition and liquid crystal display device 2021-07-23
CN-112687878-A Electrochemical device and electronic device 2020-12-25
CN-113666853-A Biaryl compounds useful as ROR gamma modulators 2020-05-15
WO-2021228215-A1 BIARYL COMPOUND CAPABLE OF SERVING AS RORγ REGULATOR 2020-05-15
WO-2021130732-A1 Antibacterial quinolines 2019-12-27
US-2021107889-A1 2-azaspiro[3.4]octane derivatives as m4 agonists 2019-10-09
TW-202128649-A 2-azaspiro[3.4]octane derivatives as m4 agonists 2019-10-09
WO-2021063914-A1 4-quinolinone antibacterial compounds 2019-09-30
CN-110357832-B Preparation method of aromatic amine compound, EphB4 kinase inhibitor and derivatives thereof 2019-07-08
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

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