Methyl 6-bromo-1,2,2a,7b-tetrahydro-3H-cyclobuta[b]indole-3-carboxylate CAS 2417969-85-6
| CAS No. | 2417969-85-6 |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 6-bromo-1,2,2a,7b-tetrahydro-3H-cyclobuta[b]indole-3-carboxylate (CAS 2417969-85-6), molecular formula C12H12BrNO2 and molecular weight 282.13 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 6-bromo-1,2,2a,7b-tetrahydro-3H-cyclobuta[b]indole-3-carboxylate (C12H12BrNO2) is characterized by a nitrogen-containing heterocyclic scaffold, 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures Methyl 6-bromo-1,2,2a,7b-tetrahydro-3H-cyclobuta[b]indole-3-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 | C12H12BrNO2 |
| Molecular Weight | 282.13 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 tightly closed to prevent evaporation |
| 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.) | 2000 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- N-(3-aminopyridin-2-yl)methanesulfonamide (CAS 1564916-50-2)
- Propyl 2-oxopropanoate (CAS 20279-43-0)
- 1-(6-Chloropyridazin-3-yl)-1H-benzo[d]imidazole (CAS 109890-25-7)
- Apalutamide impurity 85 (CAS CATO-C4X-274985)
- 5-Amino-2-methylisoindoline (CAS 158944-67-3)
- 4-({[(3-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 338975-70-5)
- Olaparib Impurity 69 (CAS 1007-16-5)
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