2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide CAS 850472-81-0
| CAS No. | 850472-81-0 |
| Molecular Formula | C20H21ClFN3O3 |
| Molecular Weight | 405.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 405.85 g/mol gives 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (CAS 850472-81-0) is a high-purity analytical reference standard with the molecular formula C20H21ClFN3O3 and a molecular weight of 405.85 g/mol.
2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (C20H21ClFN3O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C20H21ClFN3O3 |
| Molecular Weight | 405.85 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Benzo Standards
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Recommended Standards
- [2,2'-Biquinoline]-4,4'-dicarboxylic acid, copper complex (CAS 76109-99-4)
- 2-Oxo-2-phenylethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)hydrazine-1-carbodithioate (CAS 321430-58-4)
- 3-(2-Chlorophenyl)-N-[(1E)-1,2-dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)eth-1-en-1-yl]-5-methyl-1,2-oxazole-4-carboxamide (CAS 861210-02-8)
- 2-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,5-dimethoxyphenyl)acetamide (CAS 337354-51-5)
- 5-Chloro-2-[(2-fluorobenzyl)oxy]benzoyl chloride (CAS 1160260-12-7)
- 2-(Thiophen-3-yl)nicotinonitrile (CAS 870065-06-8)
- 4-Methyl-N1-(1-methyl-4-piperidinyl)-1,3-benzenediamine (CAS 1338984-74-9)
- 4,6-Difluoro-3-iodo-1H-indazole (CAS 887567-79-5)
- 3,3,3-Trifluoro-2-(3-(trifluoromethoxy)phenoxy)propan-1-amine (CAS 886764-38-1)
- 1-(2-Bromo-3,6-difluorophenyl)-2,2,2-trifluoroethan-1-one (CAS 1208076-54-3)
- Ethyl 4-(3,5-difluorophenyl)-2,2-dimethyl-4-oxobutanoate (CAS 898753-62-3)
- 1-Phenyl-1H-1,2,4-triazole-5-carbaldehyde (CAS 111340-51-3)
- <I>N</I>-(2-oxiranemethyl)carbamic acid tert-butyl ester (CAS 115198-80-6)
- Tirzepatide Impurity 37 (CAS CATO-C4X-324037)
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