Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C₁₄H₁₉BO₄CAS 653589-95-8262.11 g/mol

Open in Covalent MOL file

Boronic ester Ester

Properties

Molecular formula: C₁₄H₁₉BO₄
Molar mass: 262.11 g/mol
Exact mass: 262.1376 Da
logP: 1.77Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

653589-95-8

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OC

InChIKey

GWSGJWIUSIAFOP-UHFFFAOYSA-N

InChI

InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-9-7-6-8-10(11)12(16)17-5/h6-9H,1-5H3

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Work with Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

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-Ethoxycarbonylphenylboronic acid pinacol ester269409-99-668 % similar 1-Methyl 2-boronobenzoate374538-03-159 % similar Dimethyl phthalate131-11-356 % similar 4-(Methoxycarbonyl)-2-methylphenylboronic acid pinacol ester473596-87-156 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-450 % similar N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide380430-61-549 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-049 % similar Methyl 2-bromobenzoate610-94-649 % similar

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

Same formula

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-0 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-2 3-Methoxycarbonylphenylboronic acid pinacol ester480425-35-2 Phenylacetic acid-4-boronic acid pinacol ester797755-07-8

Elsewhere

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