Benzyl (E)-2-(3-(3,4-dichlorophenoxy)prop-1-en-1-yl)pyrrolidine-1-carboxylate CAS 956190-12-8
| CAS No. | 956190-12-8 |
| Molecular Formula | C21H21Cl2NO3 |
| Molecular Weight | 406.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Benzyl (E)-2-(3-(3,4-dichlorophenoxy)prop-1-en-1-yl)pyrrolidine-1-carboxylate (CAS 956190-12-8), molecular formula C21H21Cl2NO3 and molecular weight 406.30 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Benzyl (E)-2-(3-(3,4-dichlorophenoxy)prop-1-en-1-yl)pyrrolidine-1-carboxylate (C21H21Cl2NO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 406.30 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), Benzyl (E)-2-(3-(3,4-dichlorophenoxy)prop-1-en-1-yl)pyrrolidine-1-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 | C21H21Cl2NO3 |
| Molecular Weight | 406.30 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 5-(4-Bromo-phenoxymethyl)-4-(4-ethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 522624-65-3)
- 900811-38-3 (R)-4-(2-(Iodomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene 4-[(2R)-2-(iodomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene (CAS 900811-38-3)
- 3,5-Dichloro-N-(4-(((4-fluorophenyl)thio)methyl)phenyl)benzamide (CAS 338398-63-3)
- Tenofovir alafenamide Impurity 13 (CAS 851456-00-3(Free Base))
- (1-Propyl-1h-pyrazol-5-yl)methanamine (CAS 1006319-35-2)
- 1-(Pyridin-2-yl)-2-(pyrrolidin-2-yl)ethan-1-one (CAS 1531028-56-4)
- 2-(3-(Benzyloxy)phenyl)-2-oxoacetaldehyde (CAS 65709-20-8)
- 3-Amino-2-{[2-(trifluoromethyl)phenyl]methyl}propan-1-ol (CAS 1019113-91-7)
- (5-Amino-1,4-diphenyl-1H-pyrazol-3-yl)(piperidin-1-yl)methanone (CAS 1076197-32-4)
- 1-(methylaminomethyl)cyclobutanol (CAS 1461706-88-6)
- 2-((4-Methyl-4h-1,2,4-triazol-3-yl)methoxy)acetic acid (CAS 1249374-76-2)
- 3-Pyrrolidinylmethyl 2-phenylacetate hydrochloride (CAS 1219956-77-0)
- 3-(2-Chloro-6-fluorophenyl)propanenitrile (CAS 1057676-61-5)
- Liraglutide Impurity 31 (CAS CATO-C4X-199231)
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