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

C₁₄H₂₁BO₂CAS 401797-00-0232.13 g/mol

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Properties

Molecular formula: C₁₄H₂₁BO₂
Molar mass: 232.13 g/mol
Exact mass: 232.1635 Da
logP: 2.60Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

401797-00-0

SMILES

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

InChIKey

HWIMTTLCFONAAB-UHFFFAOYSA-N

InChI

InChI=1S/C14H21BO2/c1-10-7-8-12(9-11(10)2)15-16-13(3,4)14(5,6)17-15/h7-9H,1-6H3

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Names and synonyms

1 names

3,4-Dimethylphenylboronic acid pinacol ester

Work with 2-(3,4-Dimethylphenyl)-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

2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269410-25-561 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-860 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-858 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-257 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-857 % similar 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-256 % similar 4,4,5,5-Tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane256652-04-756 % similar 9,9-Dimethylfluorene-2,7-diboronic acid bis(pinacol) ester325129-69-954 % similar

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

Elsewhere

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