tert-butyl 6-bromo-3,4-dihydrospiro[1-benzopyran-2,4’-piperidine]-1’-carboxylate CAS 1194374-64-5
| CAS No. | 1194374-64-5 |
| Molecular Formula | C18H24BrNO3 |
| Molecular Weight | 382.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-butyl 6-bromo-3,4-dihydrospiro[1-benzopyran-2,4’-piperidine]-1’-carboxylate (CAS 1194374-64-5) is a high-purity analytical reference standard with the molecular formula C18H24BrNO3 and a molecular weight of 382.29 g/mol.
The molecular framework of tert-butyl 6-bromo-3,4-dihydrospiro[1-benzopyran-2,4’-piperidine]-1’-carboxylate (C18H24BrNO3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), tert-butyl 6-bromo-3,4-dihydrospiro[1-benzopyran-2,4’-piperidine]-1’-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C18H24BrNO3 |
| Molecular Weight | 382.29 g/mol |
| Appearance | Off-white to pale 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 1142210-23-8 2-{1-[(5-Bromo-2-thienyl)sulfonyl]piperidin-4-yl}propanoic acid 9410AC C12H16BrNO4S2 (CAS 1142210-23-8)
- tert-Butyl 6-bromospiro[chroman-4,4'-piperidine]-1'-carboxylate (CAS 1251015-26-5)
- Propargyl-PEG3-PFP ester (CAS 2148295-91-2)
- tert-Butyl 3a-(4-bromophenyl)hexahydropyrano[3,4-b]pyrrole-1(2H)-carboxylate (CAS 1251015-93-6)
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