4-Benzyloxyphenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C19H23O3B
Molecular Weight
310.20
Description
4-Benzyloxyphenylboronic Acid Pinacol Ester (CAS# 754226-40-9) is a useful research chemical.
Synonyms
4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-12-17(13-11-16)21-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChI Key
KMKOKPUXZWBMEI-UHFFFAOYSA-N
Boiling Point
428.5 °C at 760 mmHg
Melting Point
81-85 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.08 g/cm3
LogP
2.51920
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
310.1740248 g/mol
Monoisotopic Mass
310.1740248 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
366
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-111511719-A | Quinoline compounds for the treatment and prophylaxis of hepatitis b virus diseases | 2017-12-19 |
| EP-3288945-A1 | Imidazopyrazines and pyrazolopyrimidines and their use as ampa receptor modulators | 2015-04-29 |
| EP-3288945-B1 | Imidazopyrazines and pyrazolopyrimidines and their use as ampa receptor modulators | 2015-04-29 |
| ES-2759348-T3 | Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators | 2015-04-29 |
| JP-2018514537-A | Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators | 2015-04-29 |
| US-10513523-B2 | Imidazopyrazines and pyrazolopyrimidines and their use as AMPA receptor modulators | 2015-04-29 |
| US-2018118751-A1 | Imidazopyrazines and pyrazolopyrimidines and their use as ampa receptor modulators | 2015-04-29 |
| WO-2016176457-A1 | Imidazopyrazines and pyrazolopyrimidines and their use as ampa receptor modulators | 2015-04-29 |
| CN-107567452-B | Imidazopiperazines and pyrazolopyrimidines and their use as AMPA receptor modulators | 2015-04-29 |
| JP-6800885-B2 | Imidazopyrazine and pyrazolopyrimidine, and their use as AMPA receptor regulators | 2015-04-29 |
