(Z)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)-2-propenenitrile CAS 477762-22-4
| CAS No. | 477762-22-4 |
| Molecular Formula | C16H13ClF3N3O2 |
| Molecular Weight | 371.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (Z)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)-2-propenenitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(Z)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)-2-propenenitrile (CAS 477762-22-4), molecular formula C16H13ClF3N3O2 and molecular weight 371.74 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (Z)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)-2-propenenitrile (C16H13ClF3N3O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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 | C16H13ClF3N3O2 |
| Molecular Weight | 371.74 g/mol |
| Appearance | Pale yellow to 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Z Standards
- 2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 317820-39-6)
- 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(1E)-(methoxyimino)methyl]-2-phenylacetamide (CAS 338406-96-5)
- 3-Chloro-N-{[3-(2-methylpyrimidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-5-(trifluoromethyl)pyridin-2-amine (CAS 344277-27-6)
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- 4-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazono}-4-phenylbutanoic acid (CAS 338397-43-6)
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Recommended Standards
- Methyl (2Z)-3-[(2-aminophenyl)amino]-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate (CAS 1164559-76-5)
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- 2-(2-(2-Chlorophenyl)acetyl)-N-(3-(trifluoromethyl)phenyl)hydrazine-1-carboxamide (CAS 497060-12-5)
- N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide (CAS 646498-06-8)
- 3-(7-Methyl-4-oxo-4H-chromen-3-yl)acrylic acid (CAS 382636-47-7)
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- 5,5-Dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carbaldehyde (CAS 623565-23-1)
- 3-(2-Acetoxybenzoyl)-2-chloropyridine (CAS 898786-35-1)
- 2-Amino-5-(4-methoxyphenyl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one (CAS 334506-30-8)
- 2-Chloro-5-cyclopropylpyrimidine (CAS 166740-44-9)
- 2-(5-Bromobenzo[b]thiophen-3-yl)acetonitrile (CAS 23799-61-3)
- Glycopyrronium Bromide EP Impurity M (CAS 5422-88-8)
- 2,2,4-Trimethylpent-4-en-1-ol (CAS 53907-70-3)
- endo-Arg30-Semaglutide (CAS CATO-C4X-2226281)
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