2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H23BO3CAS 1027757-13-6310.20 g/mol

Open in Covalent MOL file
BOOO
Boronic esterEther

Properties

Molecular formula
C19H23BO3
Molar mass
310.20 g/mol
Exact mass
310.1740 Da
logP
3.56Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1027757-13-6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OCC3=CC=CC=C3
InChIKey
OYMQYMSYMNEKLI-UHFFFAOYSA-N
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-12-8-9-13-17(16)21-14-15-10-6-5-7-11-15/h5-13H,14H2,1-4H3

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Names and synonyms

1 names
  • 2-Benzyloxyphenylboronic acid, pinacol ester

Work with 2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-459 % similar 2-Benzyloxyphenylboronic acid190661-29-155 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-453 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-050 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide377780-72-849 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-849 % similar 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane870195-94-149 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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