2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₃H₁₉BO₃CAS 325142-84-5234.10 g/mol

Open in Covalent MOL file

Boronic ester Ether

Properties

Molecular formula: C₁₃H₁₉BO₃
Molar mass: 234.10 g/mol
Exact mass: 234.1427 Da
logP: 1.99Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

325142-84-5

SMILES

COc1cccc(B2OC(C)(C)C(C)(C)O2)c1

InChIKey

DMKREZLZDOSDQU-UHFFFAOYSA-N

InChI

InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-7-6-8-11(9-10)15-5/h6-9H,1-5H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

1,3,2-Dioxaborolane, 2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-
m-(Pinacolboryl)anisole
3-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene
(3-Methoxyphenyl)boronic acid pinacol ester
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anisole

Work with 2-(3-Methoxyphenyl)-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

4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-870 % similar 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-260 % similar 3-Methoxypyridine-5-boronic acid pinacol ester445264-60-859 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-958 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-658 % similar 2-(3-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane594823-67-358 % similar 4,4,5,5-Tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane912844-88-358 % similar Phenylboronic acid pinacol ester24388-23-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-7 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-4 4-(Hydroxymethyl)benzeneboronic acid pinacol ester302348-51-2 (3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol443776-76-9

Elsewhere

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