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

C₁₆H₁₉BO₂CAS 68716-52-9254.14 g/mol

Open in Covalent MOL file

Boronic ester

Properties

Molecular formula: C₁₆H₁₉BO₂
Molar mass: 254.14 g/mol
Exact mass: 254.1478 Da
logP: 3.14Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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

68716-52-9

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC3=CC=CC=C23

InChIKey

WQGRAXGAXSNSDL-UHFFFAOYSA-N

InChI

InChI=1S/C16H19BO2/c1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,1-4H3

Weigh it out

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

Names and synonyms

1 names

4,4,5,5-Tetramethyl-2-(naphthalen-1-yl)-1,3,2-dioxaborolane

Work with 2-(1-Naphthylene)-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-Isoquinolineboronic acid pinacol ester685103-98-466 % similar 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane870195-94-161 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-058 % similar Indole-4-boronic acid pinacol ester388116-27-657 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-856 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-456 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-456 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4,5,5-Tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane256652-04-7

Elsewhere

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