tert-Butyl 6-bromo-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate CAS 1887236-99-8
| CAS No. | 1887236-99-8 |
| Molecular Formula | C17H20BrNO4 |
| Molecular Weight | 382.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, tert-Butyl 6-bromo-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate (C17H20BrNO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 382.25 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
tert-Butyl 6-bromo-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate (CAS 1887236-99-8) is a high-purity analytical reference standard with the molecular formula C17H20BrNO4 and a molecular weight of 382.25 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures tert-Butyl 6-bromo-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H20BrNO4 |
| Molecular Weight | 382.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 4-(3-Bromobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CAS 1326814-03-2)
- 3,5-Dichloro-N1-[2-(pyridin-4-yl)quinazolin-4-yl]benzene-1,4-diamine (CAS 1955553-82-8)
- 4-(4-Bromobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CAS 1326813-64-2)
- (E)-3-[1-(4-Bromophenyl)-1H-pyrrol-3-yl]-1-(4-methoxyphenyl)-2-propen-1-one (CAS 860788-45-0)
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