2,4,5-Trifluorophenylboronic Acid
Product Information
Molecular Formula
C6H4F3O2B
Molecular Weight
175.90
Description
Reactant for: Suzuki-Miyaura coupling.
Synonyms
(2,4,5-trifluorophenyl)boronic acid; (2,4,5-trifluorophenyl)boronic acid
IUPAC Name
(2,4,5-trifluorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1F)F)F)(O)O
InChI
InChI=1S/C6H4BF3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
InChI Key
KCHHKNCSISEAAE-UHFFFAOYSA-N
Boiling Point
257 °C at 760 mmHg
Melting Point
100 °C (lit.)
Density
1.44 g/cm3
LogP
-0.21630
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
176.0256440 g/mol
Monoisotopic Mass
176.0256440 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
158
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-114149460-A | Preparation method of 3,4, 5-trifluoro-benzene boric acid | 2021-12-21 |
| WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 2019-10-17 |
| WO-2021009568-A1 | Benzenesulfonamide derivatives and uses thereof | 2019-07-17 |
| WO-2020080979-A1 | Pfkfb3 inhibitors and their uses | 2018-10-15 |
| AU-2019362747-A1 | PFKFB3 inhibitors and their uses | 2018-10-15 |
| BR-112021007101-A2 | compound, compound for use as a neuroprotectant, pharmaceutically acceptable acid addition salt, derivative, n-oxide, solvate, tautomer, stereoisomer, racemate, physiologically acceptable salt, pharmaceutical composition, neuroprotective and antiaging pharmaceutical compositions, tangible medium, deletion agent, decrease, binding, inhibition or degradation of pfkfb3, pfkfb3, pfkfb3 inhibitors for use in neuroprotection, small molecule pfkfb3 kinase activity, pfkfb3 small molecule kinase activity, and small molecule pfkfb3 kinase activity pfkfb3 kinase, kits for treating a condition mediated by pfkfb3 and/or pfkfb4, a cancer, for antiaging treatment and for neuroprotection, immunosuppression methods and for treating a cancer, solid tumor, hematologic cancer, a bone cancer, osteosarcoma, disease, cerebral ischemia, neonatal ischemic stroke, neurological insult, ischemic stroke, accelerated aging of a cancer survivor, accelerated aging of an individual suffering from hiv, of a traumatic brain injury, of a human individual after an acute central nervous system injury, for the treatment of a disorder associated with the modulation of f-2 levels, 6-p2 in a mammal, for the treatment or prevention of an age-related disorder or disease or other antiaging treatment and for the prevention or treatment of consequences of chemotherapy and radiotherapy, for the treatment or prophylaxis of a disease or condition in which the inhibition of glycolysis has a beneficial effect, of neurodegenerative disease or condition in which the inhibition of glycolysis has a beneficial effect and of neurodegenerative disease or neurodegenerative condition, to intensify the effect of radiation cancer treatment, the radiation treatment effect of bone cancer and the effect of radiation treatment of osteosarcoma, to reduce the ability of cancer cells to repair their DNA and to reduce atherosclerotic inflammation and/or at least one of its clinical consequences, to sensitize the cancer cell to cytostatic and/or radiation therapy, and, methods for neuroprotection, to manufacture a medication, to manufacture a neuroprotective medication, to increase cell antioxidant capacity, to reduce glycolytic uptake in the neuron, to prevent apoptotic neuron death, to reduce glycolytic uptake in the astrocyte, to reactive inhibition of astrocyte proliferation, to protect a neuron against excitotoxicity, to protect of an enteric neuron against excitotoxicity, for attenuation or prevention of neuronal damage in a human individual, for prevention or treatment of age-related disease, for parameter improvement, for rejuvenation, for radioprotection, for change of biomarker or biomarkers of mortality, for the change of biomarker or biomarkers of longevity or | 2018-10-15 |
| CA-3115981-A1 | Pfkfb3 inhibitors and their uses | 2018-10-15 |
| CN-113396145-A | PFKFB3 inhibitors and uses thereof | 2018-10-15 |
| EP-3867226-A1 | Pfkfb3 inhibitors and their uses | 2018-10-15 |
| JP-2022508751-A | PFKFB3 Inhibitors and Their Use | 2018-10-15 |
