N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

C₁₆H₂₈BNO₄CAS 286961-14-6309.21 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: 3.19Crippen estimate
Polar surface area: 48.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation89.2% of notifiers
H319 Causes serious eye irritation91.9% of notifiers
H335 May cause respiratory irritation10.8% of notifiers

Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

286961-14-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)OC(C)(C)C

InChIKey

VVDCRJGWILREQH-UHFFFAOYSA-N

InChI

InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h8H,9-11H2,1-7H3

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Names and synonyms

1 names

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

Work with N-Boc-1,2,5,6-tetrahydropyridine-4-boronic 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

tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate212127-83-876 % similar Phenylmethyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate286961-15-763 % similar 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester454482-11-255 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-750 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-piperidinecarboxylate1048970-17-750 % similar tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate85838-94-449 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-349 % similar tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate900503-08-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate1121057-77-9 tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate885693-20-9

Elsewhere

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