4-(Benzyloxy)phenylboronic Acid
Product Information
Molecular Formula
C13H13O3B
Molecular Weight
228.05
Description
4-(Benzyloxy)phenylboronic Acid (CAS# 146631-00-7) is a reagent in the synthesis of arylalkenylpropargylamines as neuroprotective and potent selective monoamine oxidase B inhibitors. Also used to prepare pyridone alkaloids used as antiproliferative agents.
Synonyms
(4-phenylmethoxyphenyl)boronic acid; (4-phenylmethoxyphenyl)boronic acid
IUPAC Name
(4-phenylmethoxyphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
InChI Key
DMJHEIDWSIAXCS-UHFFFAOYSA-N
Boiling Point
418.9 °C at 760 mmHg
Melting Point
193-199 °C
Flash Point
Not applicable
Purity
≥ 95.0 %
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
209
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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-112898133-A | Preparation method of trans-ketone intermediate | 2021-01-27 |
| CN-112661681-A | Polymerizable compound | 2020-08-03 |
| EP-3950670-A1 | Polymerizable compounds | 2020-08-03 |
| JP-2022028594-A | Polymerizable compounds | 2020-08-03 |
| KR-20220016768-A | Polymerizable compounds | 2020-08-03 |
| CN-113354651-A | Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines | 2020-07-30 |
| CN-111518058-A | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111518058-B | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20669927 | 2010-11-11 | Medicinal chemistry as a conduit for the modulation of quorum sensing | Journal of medicinal chemistry |
