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
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 |
