2-BROMO-4,5-DIFLUOROPHENYLBORONIC ACID
Product Information
Molecular Formula
C6H4BBrF2O2
Description
2-Bromo-4,5-Difluorophenylboronic Acid is a pharmaceutical intermediate often used in the synthesis of various medicinal compounds. It plays a crucial role in drug development, particularly in cancer research and treatments due to its ability to form stable carbon-boron bonds.
Synonyms
(2-Bromo-4,5-difluorophenyl)boronic acid; (2-Bromo-4,5-difluorophenyl)boronicacid; 2-Bromo-4,5-difluorobenzeneboronic acid; B-(2-Bromo-4,5-difluorophenyl)boronic acid
IUPAC Name
(2-bromo-4,5-difluorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1Br)F)F)(O)O
InChI
InChI=1S/C6H4BBrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
InChI Key
LUHSZNLWFYNKCZ-UHFFFAOYSA-N
Boiling Point
315.759°C at 760 mmHg
Melting Point
231-236°C(lit.)
Purity
95%
Density
1.824g/cm3
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
235.94558 g/mol
Monoisotopic Mass
235.94558 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
161
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-2013142390-A1 | Aldo-keto reductase subfamily 1c3 (akr1c3) inhibitors | 2012-03-21 |
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
| AU-2007256860-A1 | Fused, tricyclic sulfonamide inhibitors of gamma secretase | 2006-06-02 |
| BR-PI0712123-A2 | tricyclically fused gamma secretase sulfonamide inhibitors. | 2006-06-02 |
| CA-2651550-A1 | Fused, tricyclic sulfonamide inhibitors of gamma secretase | 2006-06-02 |
| EP-2038280-A2 | Fused, tricyclic sulfonamide inhibitors of gamma secretase | 2006-06-02 |
| EP-2450358-A1 | Fused, tricyclic sulfonamide inhibitors of gamma secretase | 2006-06-02 |
| JP-2009539773-A | Molten tricyclic sulfonamide γ-secretase inhibitor | 2006-06-02 |
