2-((2-(Pyrrolidin-1-yl)ethyl)thio)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS 626221-63-4
| CAS No. | 626221-63-4 |
| Molecular Formula | C18H22F3N3S |
| Molecular Weight | 369.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-((2-(Pyrrolidin-1-yl)ethyl)thio)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 626221-63-4) is a high-purity analytical reference standard with the molecular formula C18H22F3N3S and a molecular weight of 369.45 g/mol.
Based on its molecular formula C18H22F3N3S, 2-((2-(Pyrrolidin-1-yl)ethyl)thio)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 369.45 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C18H22F3N3S |
| Molecular Weight | 369.45 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Pyrrolidin Standards
- 4-{[1-Methyl-3-(pyrrolidin-1-ylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl}benzoic acid (CAS 1142210-52-3)
- 3'-(Pyrrolidin-1-ylsulfonyl)-5-(trifluoromethyl)-[1,1'-biphenyl]-3-ol (CAS 1261922-37-5)
- 4'-(Pyrrolidin-1-ylsulfonyl)-5-(trifluoromethyl)-[1,1'-biphenyl]-3-ol (CAS 1261991-27-8)
- 4-({4-[2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}sulfonyl)benzoic acid (CAS 1203428-11-8)
- 2-(Pyrrolidin-1-yl)-5-(1-tosylpyrrolidin-2-yl)pyridine (CAS 1352542-29-0)
- 1-(Pyrrolidin-1-ylsulfonyl)-N-(2-(thiophen-2-yl)ethyl)piperidine-4-carboxamide (CAS 1448064-85-4)
- 2-(Pyrrolidin-1-yl)cyclohexyl (3-(pentyloxy)phenyl)carbamate (CAS 76629-91-9)
- 3-(Pyrrolidin-1-yl)propyl (2-(heptyloxy)phenyl)carbamate (CAS 68931-06-6)
Recommended Standards
- 15-((2,5-Dioxopyrrolidin-1-yl)oxy)-15-oxopentadecanoic acid (CAS 843666-36-4)
- 2-(2-Ethylhexyl)-6,7-dimethoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 56148-88-0)
- (5E)-3-[(4-tert-Butylphenyl)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CAS 866152-69-4)
- 2,2'-(Pyridin-3-ylmethylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) (CAS 609821-58-1)
- 2H-Furo[2,3-c]pyrrole-3-acetic acid, 5-[(1,1-dimethylethoxy)carbonyl]hexahydro-, (3R,3aS,6aS)-rel- (CAS 1273566-61-2)
- n,1-Bis(4-fluorophenyl)-5-methyl-1h-1,2,4-triazole-3-carboxamide (CAS 338398-04-2)
- 1-(p-Tolyl)imidazolidine-2,4-dione (CAS 32549-31-8)
- Ropinirole Hydrochloride EP Impurity C (CAS 784110-47-0)
- 1-(4-Butylphenyl)-1H-pyrrole (CAS 383137-88-0)
- 2-Amino-n-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide (CAS 132139-27-6)
- Ethyl 2-(2-((1H-1,2,4-triazol-1-yl)methyl)thiazol-4-yl)acetate (CAS 400087-57-2)
- 1-(4-Methoxybenzyl)thiourea (CAS 37412-64-9)
- 2,3-Diiodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1246088-65-2)
- Peptide Impurity 05 (CAS 2322924-83-2)
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