3-[4-(difluoromethyl)-2-ethyl-6-oxo-2h,6h,7h-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid CAS 1018164-06-1
| CAS No. | 1018164-06-1 |
| Molecular Formula | C12H13F2N3O3 |
| Molecular Weight | 285.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 285.25 g/mol gives 3-[4-(difluoromethyl)-2-ethyl-6-oxo-2h,6h,7h-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-[4-(difluoromethyl)-2-ethyl-6-oxo-2h,6h,7h-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid (CAS 1018164-06-1), a certified reference material (molecular formula C12H13F2N3O3, MW 285.25 g/mol) for analytical method development and quality control.
3-[4-(difluoromethyl)-2-ethyl-6-oxo-2h,6h,7h-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid (C12H13F2N3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C12H13F2N3O3 |
| Molecular Weight | 285.25 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, keep tightly closed to prevent evaporation |
| 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 |
Related difluoromethyl Standards
- 3-[4-(difluoromethyl)-2,3-dimethyl-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid (CAS 1018126-77-6)
- Methyl 3-(4-(difluoromethyl)-2-methyl-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl)propanoate (CAS 1018127-98-4)
- Ethyl 2-(4-(difluoromethyl)-6-hydroxy-3-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl)acetate (CAS 1018170-72-3)
- Ethyl 7-(difluoromethyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 1706437-88-8)
- 2-(Difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridine-3-acetic acid (CAS 1805128-00-0)
- 2-(Difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine-4-acetic acid (CAS 1805151-63-6)
- 2-(Difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-acetic acid (CAS 1805265-58-0)
- 2-(4-(Difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridin-2-yl)acetic acid (CAS 1805266-42-5)
Recommended Standards
- 2-(1,3-Dioxoisoindolin-2-yl)-N-(3-methylisoxazol-5-yl)acetamide (CAS 1049291-84-0)
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- 8-(4-Fluorophenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CAS 611240-72-3)
- 3-Ethyl-2-mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 937598-12-4)
- Phytanic acid (CAS 14721-66-5)
- 1-((5-Chloro-4-hydrazinylpyridin-3-yl)sulfonyl)-4-ethylpiperazine (CAS 1352497-50-7)
- N-((11bS)-2,6-Bis(3,5-bis(trifluoromethyl)phenyl)-4-(((trifluoromethyl)sulfonyl)imino)-4l5-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide (CAS 2095607-81-9)
- Ethyl 2-methoxy-4,6-dimethylpyrimidine-5-carboxylate (CAS 548773-11-1)
- 4-(Piperidin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CAS 127710-41-2)
- 1-[(5-Bromothien-2-yl)sulfonyl]piperidine-3-carboxylic acid (CAS 496778-03-1)
- 5-(Benzyloxy)pyrimidin-2-amine (CAS 42783-58-4)
- 6H-Pyrrolo[3,4-b]pyridine (CAS 271-01-2)
- Semaglutide impurity 106 (CAS CATO-C4X-2226106)
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