Ethyl 2-((1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-2-methylpropan-2-yl)thio)acetate CAS 478042-69-2
| CAS No. | 478042-69-2 |
| Molecular Formula | C14H18ClF3N2O2S |
| Molecular Weight | 370.82 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 Ethyl 2-((1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-2-methylpropan-2-yl)thio)acetate.
Ethyl 2-((1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-2-methylpropan-2-yl)thio)acetate (CAS 478042-69-2), molecular formula C14H18ClF3N2O2S and molecular weight 370.82 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 2-((1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-2-methylpropan-2-yl)thio)acetate (C14H18ClF3N2O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine 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 presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C14H18ClF3N2O2S |
| Molecular Weight | 370.82 g/mol |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 7-(3-Chlorophenyl)-3-(4-fluorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 1105238-55-8)
- 3,3,5-Tribromo--2-oxo-7-azaindoline (CAS 183208-32-4)
- 3-(1-Hydroxyoctyl)-5-methylfuran-2(5H)-one (CAS 144398-20-9)
- N2-iso-Butyryl-2'-O-(2-methoxyethyl)guanosine (CAS 440327-50-4)
- 3-Methyl-5-phenyloxazolidine-2,4-dione (CAS 5841-66-7)
- Methyl 3-pyrrolidin-1-ylbutanoate (CAS 33598-27-5)
- Bicyclo[3.2.2]nonane-1-carbaldehyde (CAS 121455-34-3)
- 4-(Benzo[d][1,3]dioxol-5-ylmethyl)-N-methylpiperazine-1-carbothioamide (CAS 351332-37-1)
- 4-(4-methylpiperidin-1-yl)butan-1-amine (CAS 900717-45-5)
- Gliadins (CAS 9007-90-3)
- Prosulfocarb (CAS 52888-80-9)
- Neuropeptide W-23 (human) (CAS 383415-79-0)
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