3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1h-pyrazol-4-yl]-2-cyanoprop-2-enoic acid CAS 1006442-80-3
| CAS No. | 1006442-80-3 |
| Molecular Formula | C18H16F2N4O5 |
| Molecular Weight | 406.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1h-pyrazol-4-yl]-2-cyanoprop-2-enoic acid is closely related to a flavonoid core, 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-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1h-pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 1006442-80-3) is a high-purity analytical reference standard with the molecular formula C18H16F2N4O5 and a molecular weight of 406.34 g/mol.
Based on its molecular formula C18H16F2N4O5, 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1h-pyrazol-4-yl]-2-cyanoprop-2-enoic acid contains a flavonoid core, 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 406.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
CATO manufactures 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1h-pyrazol-4-yl]-2-cyanoprop-2-enoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H16F2N4O5 |
| Molecular Weight | 406.34 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related carbamoylethyl Standards
- 3-[1-(2-carbamoylethyl)-3-(4-chlorophenyl)-1h-pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 1006493-20-4)
- 3-[1-(2-carbamoylethyl)-3-(4-methoxyphenyl)-1h-pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 1006442-35-8)
- 1-(1-carbamoylethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CAS 1511964-16-1)
- 2-[(1-carbamoylethyl)sulfanyl]propanamide (CAS 6944-30-5)
- 6-[(2-carbamoylethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CAS 1153045-18-1)
- 2-{4-[(2-carbamoylethyl)sulfanyl]phenyl}acetic acid (CAS 1456695-08-1)
- 1-(2-Carbamoylethyl)-6-indolecarboxylic acid (CAS 885266-81-9)
- 2-[(1-carbamoylethyl)sulfanyl]benzoic acid (CAS 949240-61-3)
Recommended Standards
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