tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate

C₁₆H₂₈BNO₄CAS 1121057-77-9309.21 g/mol

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Alkene Boronic ester Carbamate

Properties

Molecular formula: C₁₆H₂₈BNO₄
Molar mass: 309.21 g/mol
Exact mass: 309.2111 Da
logP: 3.53Crippen estimate
Polar surface area: 48.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

1121057-77-9

SMILES

CC(C)(C)OC(=O)N1C=C(B2OC(C)(C)C(C)(C)O2)CCC1

InChIKey

VXOCSENAGKVASP-UHFFFAOYSA-N

InChI

InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h11H,8-10H2,1-7H3

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Names and synonyms

1 names

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

Work with tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate

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

1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-piperidinecarboxylate1048970-17-744 % similar 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-643 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-942 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-841 % similar 1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate144222-23-141 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-740 % similar tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-940 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-339 % similar

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

Elsewhere

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