Tert-butyl (1R,3S,5R)-3-(bromomethyl)-2-azabicyclo[3.1.0]Hexane-2-carboxylate CAS 2306245-52-1
| CAS No. | 2306245-52-1 |
| Molecular Formula | C11H18BrNO2 |
| Molecular Weight | 276.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Tert-butyl (1R,3S,5R)-3-(bromomethyl)-2-azabicyclo[3.1.0]Hexane-2-carboxylate is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Tert-butyl (1R,3S,5R)-3-(bromomethyl)-2-azabicyclo[3.1.0]Hexane-2-carboxylate (CAS 2306245-52-1) is a high-purity analytical reference standard with the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol.
Structurally, Tert-butyl (1R,3S,5R)-3-(bromomethyl)-2-azabicyclo[3.1.0]Hexane-2-carboxylate (C11H18BrNO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 276.17 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C11H18BrNO2 |
| Molecular Weight | 276.17 g/mol |
| Appearance | 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Tert-butyl (1R,3R,5R)-3-(bromomethyl)-2-azabicyclo[3.1.0]Hexane-2-carboxylate (CAS 2227198-68-5)
- Tert-butyl (1S,2R,5R)-2-(bromomethyl)-3-azabicyclo[3.1.0]Hexane-3-carboxylate (CAS 2306246-07-9)
- Tert-butyl (1R,2S,5S)-2-(bromomethyl)-3-azabicyclo[3.1.0]Hexane-3-carboxylate (CAS 2306255-49-0)
- Tert-butyl (1S,3R,5S)-3-(bromomethyl)-2-azabicyclo[3.1.0]Hexane-2-carboxylate (CAS 2306252-33-3)
- 3-Methyl-1-(6-methylpyridazin-3-yl)-1h-pyrazol-5-amine (CAS 1177348-49-0)
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