5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran

C14H17BO3CAS 519054-55-8244.10 g/mol

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OBOO
Boronic ester

Properties

Molecular formula
C14H17BO3
Molar mass
244.10 g/mol
Exact mass
244.1271 Da
logP
2.73Crippen estimate
Polar surface area
31.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
519054-55-8
SMILES
CC1(C)OB(c2ccc3occc3c2)OC1(C)C
InChIKey
ZQCCCOMKYKVFFN-UHFFFAOYSA-N
InChI
InChI=1S/C14H17BO3/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9H,1-4H3

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Names and synonyms

5 names
  • Benzofuran, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzofuran
  • 2-(Benzofuran-5-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
  • 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran
  • 2-(1-Benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran

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

4,4,5,5-Tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane256652-04-757 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-153 % similar Benzofuran-5-boronic acid331834-13-053 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-851 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole269410-24-451 % similar 2-(3,4-Dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane401797-00-050 % similar Indazole-5-boronic acid pinacol ester862723-42-049 % similar 4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane890042-13-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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