2,6-Difluorophenylboronic Acid
Product Information
Molecular Formula
C6H5F2O2B
Molecular Weight
157.91
Description
2,6-Difluorophenylboronic acid can be used: As a substrate in the model reaction of Suzuki-Miyaura coupling with 4-chloro-3-methylanisole; To prepare 4-bromo-2,3',5',6-tetrafluorobiphenyl, a key intermediate for the synthesis of 2,6-difluorinated oligophenyls applicable in organic semiconductors; To prepare ethyl 4-(2,6-difluorophenyl)nicotinate, a key intermediate for the synthesis of 4-phenyl pyridine based potent TGR5 agonists.
Synonyms
(2,6-difluorophenyl)boronic acid; (2,6-difluorophenyl)boronic acid
IUPAC Name
(2,6-difluorophenyl)boronic acid
SMILES
B(C1=C(C=CC=C1F)F)(O)O
InChI
InChI=1S/C6H5BF2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key
DBZAICSEFBVFHL-UHFFFAOYSA-N
Boiling Point
193.1 °C at 760 mmHg
Melting Point
147-149 °C (lit.)
Flash Point
Not applicable
Purity
98 %
Density
1.123 g/cm3
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 |
|---|---|---|
| CN-112794860-A | Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application | 2021-03-24 |
| CN-112794860-B | Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application | 2021-03-24 |
| WO-2022032484-A1 | Pyridazine-3-formamide compound, and preparation method therefor and medical use thereof | 2020-08-11 |
| WO-2022033410-A1 | Efgr inhibitor, preparation method therefor, and application thereof | 2020-08-10 |
| WO-2022008911-A1 | Benzodiazepine derivatives useful in treating a respiratory syncytial virus infection | 2020-07-07 |
| US-2021380591-A1 | Anthelmintic heterocyclic compounds | 2020-05-29 |
| WO-2021242581-A1 | Anthelmintic heterocyclic compounds | 2020-05-29 |
| CN-113666967-A | Organometallic compound, organic light emitting device including the same, and electronic apparatus including the organic light emitting device | 2020-05-14 |
| EP-3909964-A2 | Organometallic compound, organic light-emitting device including the same, and electronic apparatus including the organic light-emitting device | 2020-05-14 |
| JP-2021178819-A | Organometallic compounds, organic light emitting devices containing them, and electronic devices | 2020-05-14 |
