Ethyl 5-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS 317821-61-7
| CAS No. | 317821-61-7 |
| Molecular Formula | C16H15ClF3N5O4 |
| Molecular Weight | 433.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 5-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is closely related to a flavonoid core, 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.
Ethyl 5-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 317821-61-7) is a high-purity analytical reference standard with the molecular formula C16H15ClF3N5O4 and a molecular weight of 433.77 g/mol.
Structurally, Ethyl 5-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (C16H15ClF3N5O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 433.77 g/mol, it falls into the moderately-high-molecular-weight range. 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.
As a certified reference material (CRM), Ethyl 5-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H15ClF3N5O4 |
| Molecular Weight | 433.77 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related Ethyl Standards
- 2-Chloro-1-[7-(4-chloro-benzylidene)-3-(4-chloro-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-ethanone (CAS 325724-47-8)
- N'-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide (CAS 339276-25-4)
- 5-Chloro-3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole-6-carbonitrile (CAS 2876897-96-8)
- 2-Chloro-N-(5-cyano-2-((2,6-dichlorophenyl)thio)phenyl)benzamide (CAS 400076-19-9)
- 3-Chloro-N-(5-cyano-2-((2,6-dichlorophenyl)thio)phenyl)benzamide (CAS 303147-54-8)
- 4-Chloro-N-(5-cyano-2-((2,6-dichlorophenyl)thio)phenyl)benzamide (CAS 400076-18-8)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(3-(trifluoromethyl)phenyl)-1H-pyrrole-2-carboxamide (CAS 338956-42-6)
- 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1-(3-(trifluoromethyl)benzyl)pyrimidin-4(1H)-one (CAS 551930-79-1)
Recommended Standards
- N-(1-benzylpiperidin-4-yl)-2,4,5-trichlorobenzenesulfonamide (CAS 334974-49-1)
- (E)-2-(3-((4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)amino)-1-(dimethylamino)allylidene)malononitrile (CAS 338773-53-8)
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5,5'-dimethyl-2'-phenyl-1',2'-dihydro-2H,3'H-[3,4'-bipyrazol]-3'-one (CAS 318951-76-7)
- (3RS)-3-(2-Benzyloxy-5-methylphenyl)-N,N-bis(1-methylethyl)-3-phenylpropan-1-amine (CAS 389068-22-8)
- 2-(Difluoromethyl)-6-methyl-3-nitropyridine-5-carboxaldehyde (CAS 1806998-82-2)
- 1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol (CAS 58905-18-3)
- (5-fluoro-1-methyl-1H-1,3-benzodiazol-2-yl)methanamine dihydrochloride (CAS 1311314-23-4)
- 3-chloro-6-(methoxymethyl)pyridazine (CAS 1289385-57-4)
- 1-tert-Butyl 3-methyl 4-aminopyrrolidine-1,3-dicarboxylate (CAS 362491-96-1)
- 4-ethynyloxazole (CAS 1693759-64-6)
- 2-(5-Fluoro-4-methylpyridin-2-yl)acetonitrile (CAS 1427411-56-0)
- 3-Chloro-4-hydroxy-N-(5-methylpyridin-2-yl)benzamide (CAS 1017109-71-5)
- Avanafil Impurity 110 (CAS 1368440-33-8)
- C-Peptide (Proinsulin) (CAS 59112-80-0)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com