3-Ethoxyphenylboronic Acid
Product Information
Molecular Formula
C8H11O3B
Molecular Weight
165.98
Description
Reactant involved in: Cyanation for synthesis of aromatic and vinyl nitriles; Microwave-assisted palladium-catalyzed arylation of resin supported pyrazinones; Copper-mediated N- and O-arylations. Reactant involved in synthesis of biologically active molecules including: Amino derivatives of indole for use as isoprenylcysteine carboxyl methyltransferase inhibitors; 5-Arylindazole glucocorticoid receptor agonists and antagonists; 1,5-Diaryl-1,2,4-triazoles as cis-restricted combretastatin analogs.
Synonyms
(3-ethoxyphenyl)boronic acid; (3-ethoxyphenyl)boronic acid
IUPAC Name
(3-ethoxyphenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)OCC)(O)O
InChI
InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key
CHCWUTJYLUBETR-UHFFFAOYSA-N
Boiling Point
328.3 °C at 760 mmHg
Melting Point
139-146 °C (lit.)
Flash Point
Not applicable
Density
1.13 g/cm3
LogP
-0.23490
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
3
Rotatable Bond Count
3
Exact Mass
166.0801244 g/mol
Monoisotopic Mass
166.0801244 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
130
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 |
|---|---|---|
| JP-2022022902-A | Compound with fluorene skeleton | 2020-07-10 |
| US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2021133831-A1 | Compositions for use for the inhibition of dihydroorotate dehydrogenase | 2019-12-26 |
| WO-2021133833-A1 | Compositions for use in the inhibition of dihydroorotate dehydrogenase | 2019-12-26 |
| WO-2021134042-A1 | Methods and compositions for inhibition of dihydroorotate dehydrogenase | 2019-12-26 |
| WO-2021047406-A1 | Tricyclic compound, pharmaceutical composition containing same, preparation method therefor and use thereof | 2019-09-10 |
| CN-114096533-A | Tricyclic compound, pharmaceutical composition containing same, preparation method and application thereof | 2019-09-10 |
| JP-2021031401-A | Compounds having a fluorene skeleton and methods for producing them | 2019-08-19 |
| WO-2020226126-A1 | Compound having fluorene skeleton and method for producing same | 2019-05-09 |
