Ethyl 1-(2-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate CAS 339098-93-0
| CAS No. | 339098-93-0 |
| Molecular Formula | C22H19ClN2O2 |
| Molecular Weight | 378.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Ethyl 1-(2-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate.
Ethyl 1-(2-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate (CAS 339098-93-0), molecular formula C22H19ClN2O2 and molecular weight 378.85 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 1-(2-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate (C22H19ClN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 378.85 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C22H19ClN2O2 |
| Molecular Weight | 378.85 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Ethyl Standards
- 1-(2-Chlorobenzyl)-2-(3,4-dimethoxyphenyl)-1h-benzo[d]imidazole (CAS 431976-91-9)
- Ethyl 1-(3-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate (CAS 339098-90-7)
- Ethyl 1-(4-chlorobenzyl)-3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate (CAS 339098-96-3)
- 2-((4-Chlorobenzyl)thio)-3-phenylquinazolin-4(3H)-one (CAS 423731-88-8)
- 2-((4-Chlorobenzyl)thio)-4-(4-ethoxyphenyl)-4-oxobutanoic acid (CAS 279691-58-6)
- N-(4-chlorobenzyl)-2-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide (CAS 338417-61-1)
- 2-((4-Chlorobenzyl)thio)-5-(4-pentylcyclohexyl)-1,3,4-oxadiazole (CAS 860610-79-3)
- (E)-1-(4-chlorobenzyl)-2-(2-chlorostyryl)-1H-benzo[d]imidazole (CAS 338772-25-1)
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