Methyl 2-((2-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetate CAS 1018166-65-8
| CAS No. | 1018166-65-8 |
| Molecular Formula | C11H10F3N3O2S |
| Molecular Weight | 305.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Methyl 2-((2-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetate (CAS 1018166-65-8), a certified reference material (molecular formula C11H10F3N3O2S, MW 305.28 g/mol) for analytical method development and quality control.
The molecular framework of Methyl 2-((2-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetate (C11H10F3N3O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C11H10F3N3O2S |
| Molecular Weight | 305.28 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- 2-{[2-ethyl-4-(trifluoromethyl)-2h-pyrazolo[3,4-b]pyridin-6-yl]sulfanyl}acetic acid (CAS 1018166-25-0)
- 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-5-methylbenzoic acid (CAS 1023554-70-2)
- 2-((2,3-Dimethyl-4-(trifluoromethyl)-2h-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid (CAS 1018046-81-5)
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