2,5-Difluorophenylboronic Acid
Product Information
Molecular Formula
C6H5F2O2B
Molecular Weight
157.91
Description
Reactant for: Suzuki-Miyaura cross-coupling reactions; Preparation of selective sphingosine phosphate receptor antagonists.
Synonyms
(2,5-difluorophenyl)boronic acid; (2,5-difluorophenyl)boronic acid
IUPAC Name
(2,5-difluorophenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1)F)F)(O)O
InChI
InChI=1S/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
InChI Key
KTOJGSDLJNUAEP-UHFFFAOYSA-N
Boiling Point
271.3 °C at 760 mmHg
Melting Point
105-110 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.35 g/cm3
LogP
-0.35540
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
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
134
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-114181144-A | Fluorobiphenyl methyl resorcinol ether derivative, preparation method and application thereof | 2021-12-06 |
| CN-112939881-A | Bi-component organic room temperature phosphorescent material and preparation method thereof | 2021-02-19 |
| WO-2022051596-A1 | Bicyclic-heterocycle derivatives and their uses as orexin-2 receptor agonists | 2020-09-03 |
| CN-114075195-A | Pyrimidone derivatives and their use in medicine | 2020-08-21 |
| WO-2022037560-A1 | Pyrimidone derivative and application thereof in drug | 2020-08-21 |
| WO-2022023339-A1 | Aryl substituted pyrrolo-pyridinones and therapeutic uses thereof | 2020-07-29 |
| WO-2022013311-A1 | Pyrido oxazine derivatives as alk5 inhibitors | 2020-07-15 |
| WO-2022013312-A1 | Pyrido oxazine amino derivatives as alk5 inhibitors | 2020-07-15 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 11968014 | 2002-01-01 | Real-time quantitative RT-PCR analysis of human bone marrow stromal cells during osteogenic differentiation in vitro | Journal of cellular biochemistry |
| 5184 | 1976-04-01 | Acid proteases from species of Mucor. IV. Hydrogen-tritium exchange of Mucor miehei protease | Canadian journal of biochemistry |
| 5826 | 1975-02-01 | [The meaning of the normal values of the ejaculate for fertility] | Zeitschrift fur Hautkrankheiten |
