3-[2-isopropyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid CAS 1018127-01-9
| CAS No. | 1018127-01-9 |
| Molecular Formula | C13H14F3N3O3 |
| Molecular Weight | 317.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-[2-isopropyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-[2-isopropyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid (CAS 1018127-01-9), molecular formula C13H14F3N3O3 and molecular weight 317.26 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H14F3N3O3, 3-[2-isopropyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 317.26 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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 | C13H14F3N3O3 |
| Molecular Weight | 317.26 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.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related isopropyl Standards
- 1-Isopropyl-4-(2,4,5-trifluorophenyl)-1H-indole-3-carbaldehyde (CAS 1350760-35-8)
- Isopropyl 4-(4-(dimethylamino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 300690-01-1)
- Isopropyl 2-amino-4-(4-(sec-butyl)phenyl)thiophene-3-carboxylate (CAS 351157-00-1)
- Isopropyl 2-amino-4-(4-isopropylphenyl)-5-methylthiophene-3-carboxylate (CAS 905011-51-0)
- Isopropyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate (CAS 905011-49-6)
- 1-Isopropyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline (CAS 6344-74-7)
- 3-Isopropyl-2-(4-methoxyphenyl)-3H-naphtho[1,2-d]imidazole (CAS 76145-76-1)
- N-Isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide (CAS 303988-31-0)
Recommended Standards
- Diethyl {[(2,3,4-trifluorophenyl)amino]-methylene}malonate (CAS 100501-60-8)
- Methyl 3-(2,3-dimethyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl)propanoate (CAS 1018128-14-7)
- 1-[6,8-Difluoro-2-(trifluoromethyl)quinol-4-yl]piperazine (CAS 1000339-47-8)
- Methyl 3-(2-ethyl-6-oxo-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-7(6H)-yl)propanoate (CAS 1018164-34-5)
- 5-methylpiperidine-3-carboxylic acid (CAS 1095906-16-3)
- AMCA-X (CAS 205124-69-2)
- 1,4-Bis((4-fluorophenyl)ethynyl)benzene (CAS 131941-37-2)
- 5-chloro-2-methyl-1H-imidazo[4,5-b]pyridine (CAS 40851-92-1)
- N-[(9R)-10,11-dihydrocinchonan-9-yl]-2-(diphenylphosphino)-benzamide (CAS 1263322-12-8)
- 2-(Aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CAS 1806759-69-2)
- 1707581-27-8 N-(Piperidin-1-yl)-4-(trifluoromethyl)-pyridin-3-amine (CAS 1707581-27-8)
- 2-Methyl-4,6-Bis(Octylsulfanylmethyl)Phenol (CAS 110553-27-0)
- N-(4-Amino-2-methoxyphenyl)-4-chloro-2-pyridinecarboxamide (CAS 1220031-44-6)
- Hexapeptide-11 (CAS 100684-36-4)
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