1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-[(6-chloropyridin-3-yl)methyl]piperazine CAS 861211-55-4
| CAS No. | 861211-55-4 |
| Molecular Formula | C18H20ClN3O2 |
| Molecular Weight | 345.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-[(6-chloropyridin-3-yl)methyl]piperazine (CAS 861211-55-4) is a high-purity analytical reference standard with the molecular formula C18H20ClN3O2 and a molecular weight of 345.82 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-[(6-chloropyridin-3-yl)methyl]piperazine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 345.82 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H20ClN3O2 |
| Molecular Weight | 345.82 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 1-(3-Chlorobenzyl)-3-(4-methylpiperazine-1-carbonyl)pyridin-2(1H)-one (CAS 338754-96-4)
- 1-[(4-Chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)-1,2-dihydropyridin-2-one (CAS 338783-47-4)
- (4-(4-Aminophenyl)piperazin-1-yl)(5-chloro-2-methoxyphenyl)methanone (CAS 892693-46-8)
- 1-Benzyl-3-chloro-5-(4-methylpiperazine-1-carbonyl)-1,2-dihydropyridin-2-one (CAS 339024-49-6)
- (3-Amino-4-(pyrrolidin-1-yl)phenyl)(pyrrolidin-1-yl)methanone (CAS 640263-69-0)
- 2-(2-Chloro-4-(difluoromethyl)-6-hydroxypyridin-3-yl)acetic acid (CAS 1806871-38-4)
- 4,5-Diamino-3-(difluoromethyl)picolinaldehyde (CAS 1804711-03-2)
- 3-Methoxy-3-methylbut-1-yne (CAS 13994-57-5)
- 1,2-Bis(4-(pyridin-4-yl)phenyl)diazene (CAS 1872218-35-3)
- 2'-Chloro-6-fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid (CAS 1261978-73-7)
- Nitrosylsulfuric acid solution (CAS 7782-78-7)
- (2'-Nitro-[1,1'-biphenyl]-4-yl)methanol (CAS 159815-76-6)
- Albendazole EP Impurity D (CAS 80983-34-2)
- Des-Leu14-Tirzepatide (CAS CATO-CPTD788959)
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