2-Phenoxyphenylboronic Acid
Product Information
Molecular Formula
C12H11O3B
Molecular Weight
214.02
Description
Reactant for: Palladium catalyzed cross-coupling reactions; Trifluoromethylation via copper-mediated oxidative cross-coupling; Preparation of biologically and pharmacologically active molecules; Preparation of pyridazine-based scaffolds as a-helix mimetics.
Synonyms
(2-phenoxyphenyl)boronic acid; (2-phenoxyphenyl)boronic acid
IUPAC Name
(2-phenoxyphenyl)boronic acid
SMILES
B(C1=CC=CC=C1OC2=CC=CC=C2)(O)O
InChI
InChI=1S/C12H11BO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,14-15H
InChI Key
AVOWPOFIQZSVGV-UHFFFAOYSA-N
Boiling Point
369 °C at 760 mmHg
Melting Point
104-108 °C (lit.)
Density
1.23 g/cm3
LogP
1.15870
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
214.0801244 g/mol
Monoisotopic Mass
214.0801244 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
204
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-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| CN-111072696-A | Synthesis method of 2-phenoxyphenylboronic acid | 2019-12-13 |
| WO-2021094976-A1 | Diaryloxybenzoheterodiazole compounds di-substituted with thienothiophenic groups | 2019-11-12 |
| WO-2021088787-A1 | Quinazoline compound used as axl inhibitor | 2019-11-07 |
| CN-112094266-A | Pyrrolopyridinone compound, preparation method, composition and application thereof | 2019-06-17 |
| WO-2020253711-A1 | Pyrrolopyridone compound, preparation method therefor, and composition and use thereof | 2019-06-17 |
| CN-112079829-A | 1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof | 2019-06-14 |
| CN-112079829-B | 1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof | 2019-06-14 |
