3-(Trifluoromethoxy)phenylboronic Acid
Product Information
Molecular Formula
C7H6F3O3B
Molecular Weight
205.93
Description
Precursor commonly used in the synthesis of biologically active compounds including: Multisubstituted purines for use as P2X7 antagonists in the treatment of pain; Heteroaryl substituted tetrahydropyrroloijquinolinone derivatives as aldosterone synthase inhibitors; Fluorohydroquinolineethanol as a CETP inhibitor; Biaryl amides with muscarinic acetylcholine receptor subtype M1 agonist activity; C2-aryl pyrrolobenzodiasepine antitumor agents; Piperazine-bisamide for obesity treatments.
Synonyms
[3-(trifluoromethoxy)phenyl]boronic acid; [3-(trifluoromethoxy)phenyl]boronic acid
IUPAC Name
[3-(trifluoromethoxy)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)OC(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H
InChI Key
UWDFWVLAHRQSKK-UHFFFAOYSA-N
Melting Point
84-89 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-113444081-A | Thiadiazole amide compound and application thereof | 2021-07-30 |
| WO-2022053838-A1 | Small molecule inhibitors of lemur tyrosine kinase 3 | 2020-09-14 |
| WO-2022047230-A1 | Compounds, compositions and methods for histone lysine demethylase inhibition | 2020-08-28 |
| WO-2021221169-A1 | Pyrimidin-4(3h)-one derivatives as trpv4 antagonists | 2020-04-30 |
| WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 2020-03-26 |
| WO-2021130732-A1 | Antibacterial quinolines | 2019-12-27 |
| WO-2021064571-A1 | N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication | 2019-10-01 |
| WO-2021063914-A1 | 4-quinolinone antibacterial compounds | 2019-09-30 |
| US-2021094973-A1 | Heterocyclic compounds | 2019-09-24 |
