3-Benzyloxy-2,6-difluorophenylboronic acid
Product Information
Molecular Formula
C6H5CH2OC6H2(F)2B(OH)2
Molecular Weight
264.03
Description
3-Benzyloxy-2,6-difluorophenylboronic acid is an indispensible entity within the biomedical realm. Emblematic of its paramount significance, this compound governs a pivotal sphere in pioneering therapeutic interventions targeting an extensive array of afflictions spanning cancerous proliferation to viral infestations. Its enigmatic attributes further underpin its pivotal role as an elemental constituent engendering the synthesis of profound pharmaceutical agents, thereby propelling transformative strides in the dynamic sphere of biomedicine.
Synonyms
3-(BENZYLOXY)-2,6-DIFLUOROBENZENEBORONIC ACID; 3-benzyloxy-2,6-difluorophenylbornic acid; 2,6-Difluoro-5-benzyloxyphenylboronic acid; (3-Benzyloxy-2,6-difluoro-phenyl)boronic acid; (2,6-difluoro-3-phenylmethoxyphenyl)boronic acid; [3-(benzyloxy)-2,6-difluorophenyl]boronic acid; 3-Benzyloxy-2,6-difluorophenylboronicacid; 2,6-Difluoro-3-(benzyloxy)phenylboronic acid
IUPAC Name
(2,6-difluoro-3-phenylmethoxyphenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1F)OCC2=CC=CC=C2)F)(O)O
InChI
InChI=1S/C13H11BF2O3/c15-10-6-7-11(13(16)12(10)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key
MUKMMBLTLNKOAC-UHFFFAOYSA-N
Melting Point
112-118 °C (lit.)
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
264.0769307 g/mol
Monoisotopic Mass
264.0769307 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
275
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 |
|---|---|---|
| EP-2681195-A1 | Novel kinase inhibitors | 2011-03-04 |
| EP-2681197-A1 | Tetrasubstituted cyclohexyl compounds as kinase inhibitors | 2011-03-04 |
| JP-2014506915-A | Tetrasubstituted cyclohexyl compounds as kinase inhibitors | 2011-03-04 |
| JP-2014506917-A | Novel kinase inhibitor | 2011-03-04 |
| US-2012225061-A1 | Tetrasubstituted cyclohexyl compounds as kinase inhibitors | 2011-03-04 |
| US-2012225062-A1 | Novel kinase inhibitors | 2011-03-04 |
| US-2014228363-A1 | Tetrasubstituted cyclohexyl compounds as kinase inhibitors | 2011-03-04 |
| WO-2012120415-A1 | Tetrasubstituted cyclohexyl compounds as kinase inhibitors | 2011-03-04 |
| WO-2012120428-A1 | Novel kinase inhibitors | 2011-03-04 |
| EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
