Tert-butyl 5-bromospiro[indoline-3,4'-piperidine]-1'-carboxylate

HCID 49760955

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Basic information

CAS: 878167-55-6
Standard SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(Br)cc12
InChIKey: WFBWTVMSUBPQMI-UHFFFAOYSA-N
Molecular formula: C17H23BrN2O2
Average molar mass: 367.3 g/mol
Monoisotopic mass: 366.09429008

Names & identifiers

Preferred name: Tert-butyl 5-bromospiro[indoline-3,4'-piperidine]-1'-carboxylate
IUPAC: tert-butyl 5-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
English name: tert-Butyl 5-broMospiro[indoline-3,4'-piperidine]-1'-carboxylate
Molecular formula: C17H23BrN2O2
Molecular weight: 367.28

Names & synonyms

878167-55-6TERT-BUTYL 5-BROMOSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATEMFCD10696106tert-butyl 5-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylatetert-butyl 5-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylatetert-butyl5-bromospiro[indoline-3,4'-piperidine]-1'-carboxylateSCHEMBL6524496DTXSID50678298WFBWTVMSUBPQMI-UHFFFAOYSA-NAKOS016007788KS-8731PB34523

Show more names

5-Bromo-1’-Boc-spiro[indoline-3,4’-piperidinetert-Butyl 5-bromospiro[indoline-3,4'-piperidine]-1'-carboxylate - [B13042]SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID, 5-BROMO-1,2-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER

SY101690CS-0038857P10934F2350981-Boc-5-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]tert-Butyl 5-bromo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate5-Bromo-1 inverted exclamation mark -Boc-spiro[indoline-3,4 inverted exclamation mark -piperidine]

Database identifiers

CAS: 878167-55-6
PubChem CID: 49760955
DTXSID: DTXSID50678298

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 427

Physicochemical properties

Boiling point: 463.6 · 463.6±45.0 °C(Predicted)
Density: 1.39 · 1.39±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.46 · 4.46±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313