tert-Butyl 6-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
Basic information
- CAS
1160247-43-7- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(Br)cc12- InChIKey
URJPFMASYLYQHL-UHFFFAOYSA-N- Molecular formula
- C18H22BrNO3
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 379.07831
Names & identifiers
- Preferred name
- tert-Butyl 6-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
- IUPAC
- tert-butyl 6-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
- English name
- tert-Butyl6-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
- Molecular formula
- C18H22BrNO3
- Molecular weight
- 380.28
Names & synonyms
1160247-43-7tert-Butyl 6-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylatetert-butyl 6-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylateMFCD12198599Tert-Butyl 6-Bromo-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-CarboxylateSCHEMBL26176388SCHEMBL31694099KWB24743AKOS027428848tert-Butyl6-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylateAS-73565CS-0038949
Show more names
Tert-Butyl 6-Bromo-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate(WX105047)Spiro[1H-indene-1,4'-piperidine]-1'-carboxylic acid, 6-bromo-2,3-dihydro-3-oxo-, 1,1-dimethylethyl ester
W14155F613752tert-butyl 6-bromo-3-oxo-spiro[indane-1,4'-piperidine]-1'-carboxylatet-Butyl 6-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
Database identifiers
- CAS
1160247-43-7- PubChem CID
- 49760970
- EC Number
- 193-562-2
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 487.6 · 487.6±45.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- -0.81 · -0.81±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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