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

C₁₆H₂₃BO₄CAS 859169-20-3290.17 g/mol

Open in Covalent MOL file

Boronic ester Ester

Properties

Molecular formula: C₁₆H₂₃BO₄
Molar mass: 290.17 g/mol
Exact mass: 290.1689 Da
logP: 2.09Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

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

859169-20-3

SMILES

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

InChIKey

RPRBNRDIESZHFL-UHFFFAOYSA-N

InChI

InChI=1S/C16H23BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3

Weigh it out

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

Names and synonyms

1 names

4-(Ethoxycarbonylmethyl)phenylboronic acid, pinaco

Work with Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

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

Phenylacetic acid-4-boronic acid pinacol ester797755-07-860 % similar Ethyl p-tolylacetate14062-19-256 % similar Ethyl phenylacetate101-97-355 % similar p-Chlorophenylacetic acid ethyl ester14062-24-955 % similar Ethyl 2-(4-bromophenyl)acetate14062-25-055 % similar Ethyl 4-hydroxyphenylacetate17138-28-255 % similar Ethyl 4-aminophenylacetate5438-70-055 % similar Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetate864754-16-554 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook