3,5-Difluorophenylboronic Acid
Product Information
Molecular Formula
C6H5F2O2B
Molecular Weight
157.91
Description
Reactant involved in: Synthesis of honokiol analogs as angiogenesis inhibitors; Homo-coupling reactions; Suzuki-Miyaura cross-coupling reactions; Enantioselective borane reduction of trifluoroacetophenone.
Synonyms
(3,5-difluorophenyl)boronic acid; (3,5-difluorophenyl)boronic acid
IUPAC Name
(3,5-difluorophenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1)F)F)(O)O
InChI
InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChI Key
QWQBQRYFWNIDOC-UHFFFAOYSA-N
Boiling Point
266.9 °C / 760 mmHg
Melting Point
210-217 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.35 g/cm3
Storage
Keep in dark place. Sealed in dry. Room temperature.
LogP
-0.35540
Safety Information
Hazards
H315 - H319 - H335
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
4
Rotatable Bond Count
1
Exact Mass
158.0350659 g/mol
Monoisotopic Mass
158.0350659 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
124
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-2022051596-A1 | Bicyclic-heterocycle derivatives and their uses as orexin-2 receptor agonists | 2020-09-03 |
| US-2022056017-A1 | Bicycloheptane pyrrolidine orexin receptor agonists | 2020-08-18 |
| WO-2022040070-A1 | Bicycloheptane pyrrolidine orexin receptor agonists | 2020-08-18 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2022023339-A1 | Aryl substituted pyrrolo-pyridinones and therapeutic uses thereof | 2020-07-29 |
| WO-2022006433-A1 | Compounds, compositions and methods | 2020-07-02 |
| WO-2021242581-A1 | Anthelmintic heterocyclic compounds | 2020-05-29 |
| WO-2021190615-A1 | Compounds as casein kinase inhibitors | 2020-03-27 |
| WO-2021165834-A1 | 5-(3-(ethylsulfonyl)pyridin-2-yl)-pyrazolo[1,5-a]pyrimidine derivatives and related compounds as pesticide and insecticide agents for crop protection | 2020-02-18 |
| WO-2021166934-A1 | Production method for pyrrolidine compound | 2020-02-18 |
