4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane

C₁₃H₁₉BO₂CAS 253342-48-2218.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₉BO₂
Molar mass: 218.10 g/mol
Exact mass: 218.1478 Da
logP: 2.29Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

253342-48-2

SMILES

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

InChIKey

XDKYCZBGHPGKEP-UHFFFAOYSA-N

InChI

InChI=1S/C13H19BO2/c1-10-7-6-8-11(9-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3

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Names and synonyms

1 names

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene

Work with 4,4,5,5-Tetramethyl-2-(m-tolyl)-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-dioxaborolane196212-27-875 % similar Phenylboronic acid pinacol ester24388-23-666 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-962 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-662 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-560 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-358 % similar 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1269508-31-758 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-057 % 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

Elsewhere

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