2-Ethoxycarbonylphenylboronic acid pinacol ester

C₁₅H₂₁BO₄CAS 269409-99-6276.14 g/mol

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Boronic ester Ester

Properties

Molecular formula: C₁₅H₂₁BO₄
Molar mass: 276.14 g/mol
Exact mass: 276.1533 Da
logP: 2.16Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

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

269409-99-6

SMILES

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

InChIKey

RFBZWPFBCXBBJS-UHFFFAOYSA-N

InChI

InChI=1S/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3

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Names and synonyms

1 names

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

Work with 2-Ethoxycarbonylphenylboronic 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

1-Ethyl 2-boronobenzoate380430-53-562 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-045 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide377780-72-844 % similar 2-Formylphenylboronic acid pinacol ester380151-85-944 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-844 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-444 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-443 % similar 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-48-242 % similar

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

Same formula

4-(Methoxycarbonyl)-2-methylphenylboronic acid pinacol ester473596-87-1

Elsewhere

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