3-[1-(3,4-Dimethyl-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile CAS 736146-05-7
| CAS No. | 736146-05-7 |
| Molecular Formula | C17H18N2O |
| Molecular Weight | 266.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-[1-(3,4-Dimethyl-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile (CAS 736146-05-7) is a high-purity analytical reference standard with the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol.
The molecular framework of 3-[1-(3,4-Dimethyl-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile (C17H18N2O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
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 | C17H18N2O |
| Molecular Weight | 266.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 1-Chloro-2,3-difluoro-4-methylbenzene (CAS 1261737-51-2)
- 3-(4-(2-Fluorophenyl)pyridin-2-yl)-1,2,4-oxadiazol-5(4H)-one (CAS 1219454-11-1)
- Sodium 2-(dicyclohexylphosphino)-2',6'-dimethoxybiphenyl-3'-sulfonate (CAS 870245-75-3)
- 2-Phenylpropane-1,3-diamine (CAS 55165-09-8)
- 1-(4-(Chloromethyl)-6-(trifluoromethyl)pyridin-2-yl)ethan-1-one (CAS 1393541-07-5)
- N-(2-(Benzo[d]thiazol-2-yl)phenyl)-5-nitrofuran-2-carboxamide (CAS 380546-81-6)
- 3-bromobenzene-1,2-dicarbonitrile (CAS 76241-80-0)
- 2-(bromomethyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CAS 1461706-31-9)
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