Methyl (2S,3S)-3-((2-chloro-5-fluoropyrimidin-4-yl)amino)bicyclo[2.2.2]Octane-2-carboxylate CAS 1383446-12-5
| CAS No. | 1383446-12-5 |
| Molecular Formula | C14H17ClFN3O2 |
| Molecular Weight | 313.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl (2S,3S)-3-((2-chloro-5-fluoropyrimidin-4-yl)amino)bicyclo[2.2.2]Octane-2-carboxylate.
CATO supplies Methyl (2S,3S)-3-((2-chloro-5-fluoropyrimidin-4-yl)amino)bicyclo[2.2.2]Octane-2-carboxylate (CAS 1383446-12-5), a certified reference material (molecular formula C14H17ClFN3O2, MW 313.76 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, Methyl (2S,3S)-3-((2-chloro-5-fluoropyrimidin-4-yl)amino)bicyclo[2.2.2]Octane-2-carboxylate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 313.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C14H17ClFN3O2 |
| Molecular Weight | 313.76 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; 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.) | 1991 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
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