2-(Benzyloxy)phenylboronic Acid
Product Information
Molecular Formula
C13H13O3B
Molecular Weight
228.05
Description
Reactant for: Palladium complex-catalyzed selective hydroxylation; Palladium(II)-catalyzed oxidative Heck reactions; Metal-free electrophilic fluorination; Suzuki-Miyaura cross-coupling reactions.
Synonyms
(2-phenylmethoxyphenyl)boronic acid; (2-phenylmethoxyphenyl)boronic acid
IUPAC Name
(2-phenylmethoxyphenyl)boronic acid
SMILES
B(C1=CC=CC=C1OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C13H13BO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,15-16H,10H2
InChI Key
MCAIDINWZOCYQK-UHFFFAOYSA-N
Boiling Point
428.7 °C at 760 mmHg
Melting Point
105-110 °C (lit.)
Density
1.2 g/cm3
LogP
0.94540
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
228.0957744 g/mol
Monoisotopic Mass
228.0957744 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
217
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-113621215-A | Preparation method of organic-inorganic hybrid biomass phenolic resin ablation-resistant material | 2021-07-28 |
| CN-112898133-A | Preparation method of trans-ketone intermediate | 2021-01-27 |
| CN-113493419-A | EGFR tyrosine kinase inhibitor and application thereof | 2020-03-18 |
| WO-2021185297-A1 | Egfr tyrosine kinase inhibitor and use thereof | 2020-03-18 |
| CN-111171721-A | Ceramizable ablation-resistant coating and preparation method thereof | 2020-01-22 |
| CN-111171721-B | Ceramizable ablation-resistant coating and preparation method thereof | 2020-01-22 |
| WO-2021133917-A1 | Smarca inhibitors and uses thereof | 2019-12-23 |
| TW-202130792-A | Polymerizable compound, liquid crystal composition, liquid crystal display element and liquid crystal display | 2019-11-29 |
| CN-110819023-A | Low-dielectric-loss resin-based composite material and preparation method and application thereof | 2019-11-19 |
| CN-110819023-B | Low-dielectric-loss resin-based composite material and preparation method and application thereof | 2019-11-19 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22250781 | 2012-03-08 | Identification of novel adenosine A(2A) receptor antagonists by virtual screening | Journal of medicinal chemistry |
