Benzylboronic acid pinacol ester

C₁₃H₁₉BO₂CAS 87100-28-5218.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₉BO₂
Molar mass: 218.10 g/mol
Exact mass: 218.1478 Da
logP: 2.86Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

87100-28-5

SMILES

B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2

InChIKey

YCNQPAVKQPLZRS-UHFFFAOYSA-N

InChI

InChI=1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Work with Benzylboronic acid pinacol ester

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-Fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane243145-83-765 % similar 4,4,5,5-Tetramethyl-2-(4-(trifluoromethyl)benzyl)-1,3,2-dioxaborolane475250-46-561 % similar Phenylboronic acid pinacol ester24388-23-650 % similar 2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1027757-13-647 % similar 4,4,5,5-Tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane83947-56-247 % similar (Z)-1,2-Diphenyl-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethene151416-94-345 % similar Bis[(pinacolato)boryl]methane78782-17-944 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-444 % similar

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

Same formula

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-8 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-0 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-2

Elsewhere

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