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

C₁₃H₁₉BO₃CAS 190788-60-4234.10 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
Melting point: 80–81 °C
logP: 1.99Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

190788-60-4

SMILES

COc1ccccc1B1OC(C)(C)C(C)(C)O1

InChIKey

ASDFSWMHZSWXPO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

1,3,2-Dioxaborolane, 2-(2-methoxyphenyl)-4,4,5,5-tetramethyl-
o-(Pinacolboryl)anisole
2-Methoxyphenylboronic acid pinacol ester

Work with 2-(2-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

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-861 % similar 2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1027757-13-659 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-058 % similar 2-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine532391-31-457 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-456 % similar 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane870195-94-156 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-456 % similar 2-Formylphenylboronic acid pinacol ester380151-85-956 % 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 4-(Hydroxymethyl)benzeneboronic acid pinacol ester302348-51-2 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-5 (3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol443776-76-9

Elsewhere

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