3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(3,4-dichlorophenyl)urea CAS 866038-94-0
| CAS No. | 866038-94-0 |
| Molecular Formula | C22H20Cl2N4O2 |
| Molecular Weight | 443.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(3,4-dichlorophenyl)urea is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(3,4-dichlorophenyl)urea (CAS 866038-94-0), molecular formula C22H20Cl2N4O2 and molecular weight 443.33 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(3,4-dichlorophenyl)urea is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 443.33 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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), 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(3,4-dichlorophenyl)urea 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 | C22H20Cl2N4O2 |
| Molecular Weight | 443.33 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related cyano Standards
- Ethyl 5-cyano-6-{[(2,4-dichlorophenyl)methyl]sulfanyl}-2-phenylpyridine-3-carboxylate (CAS 306980-11-0)
- Ethyl 5-cyano-2-phenyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carboxylate (CAS 306980-09-6)
- 1-(3-Cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl)-3-(3-(trifluoromethyl)phenyl)urea (CAS 866017-62-1)
- N-(3-cyano-4-((3-(trifluoromethyl)phenyl)sulfinyl)phenyl)-3-methoxybenzamide (CAS 477710-04-6)
- Ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-5-phenylthiophene-3-carboxylate (CAS 469872-53-5)
- N-(2-Cyano-3-methylbutan-2-yl)-2-((4-(2,4-difluorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 745068-65-9)
- 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 626227-18-7)
- N-(2-Cyano-3-methylbutan-2-yl)-2-((5,6-di-p-tolyl-1,2,4-triazin-3-yl)thio)acetamide (CAS 757214-05-4)
Recommended Standards
- 1-3-4-6-Tetra-O-acetyl-2-deoxy-2-trifluoroacetamido-D-glucopyranose (CAS 7139-63-1)
- 4,4'-(2-(4-Bromophenyl)-2-phenylethene-1,1-diyl)diphenol (CAS 936803-69-9)
- 1-(3,4-Dichlorobenzyl)-5-(4-(pyridin-2-yl)piperazine-1-carbonyl)pyridin-2(1H)-one (CAS 860649-40-7)
- Fluvoxamine impurity 48 (CAS CATO-C4X-195148)
- 4-Fluoro-2-[(1-pyrrolidyl)methyl]phenylboronic Acid Pinacol Ester (CAS 1667753-41-4)
- 4-Bromo-2-(trifluoromethyl)-1H-pyrrole (CAS 1369878-02-3)
- 4-(1-((1h-Pyrazol-4-yl)amino)ethyl)phenol hydrochloride (CAS 1354961-42-4)
- 2-(2-Bromophenyl)-2-(morpholin-4-yl)acetonitrile (CAS 1157273-16-9)
- 4-(5-Formyl-1,3,4-oxadiazol-2-yl)benzonitrile (CAS 944898-02-6)
- 7-Methoxy-1-naphthaleneacetic acid ethyl ester (CAS 6836-21-1)
- Thiazolo[5,4-f]isoquinolin-2-amine (CAS 35317-86-3)
- 7-(Trifluoromethyl)-3,4-dihydro-2,6-naphthyridin-1(2H)-one (CAS 765298-19-9)
- (2-Methyl-6-pyrrolidin-2-yl-pyridin-4-yl)-pyrazin-2-yl-amine (CAS 1361118-52-6)
- Peptide 6A (H-6905.0005) (CAS 73549-32-3)
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