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

Open in Covalent MOL file

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

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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Similar compounds

tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate212127-83-854 % 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 1-Boc-3-piperidone98977-36-745 % similar 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 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane141091-37-442 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-942 % similar tert-Butyl N-(3-aminopropyl)-N-methylcarbamate150349-36-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester286961-14-6 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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