N-(3-chloro-4-methoxybenzyl)-4-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamide CAS 866132-00-5
| CAS No. | 866132-00-5 |
| Molecular Formula | C20H21ClF3N3O2 |
| Molecular Weight | 427.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(3-chloro-4-methoxybenzyl)-4-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamide is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-(3-chloro-4-methoxybenzyl)-4-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamide (CAS 866132-00-5), molecular formula C20H21ClF3N3O2 and molecular weight 427.85 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(3-chloro-4-methoxybenzyl)-4-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamide (C20H21ClF3N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 427.85 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C20H21ClF3N3O2 |
| Molecular Weight | 427.85 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related N Standards
- 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 4-methylbenzoate (CAS 338415-44-4)
- (2Z)-2-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-4-(methylsulfanyl)-3-oxobutanenitrile (CAS 1164480-54-9)
- (2Z)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-{[(3-methoxyphenyl)amino]methylidene}-3-oxobutanenitrile (CAS 251310-64-2)
- Ethyl 7-chloro-5-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 6324-16-9)
- 1-(5-Chloro-2-methylphenyl)-N-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 890937-57-2)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-17-0)
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-1-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-11-3)
- 2-[4-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-benzylidene]-malonic acid diethyl ester (CAS 1311279-32-9)
Recommended Standards
- Halometasone Impurity 9 (CAS CATO-C4X-14469)
- 2-(4-Chlorobenzyl)-N-(3-(trifluoromethyl)benzyl)quinazolin-4-amine (CAS 303149-92-0)
- 1-(4-Chlorophenyl)-5-[(2E)-3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 338770-05-1)
- 1-[2-(4-Chlorophenoxy)ethyl]-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one (CAS 909659-29-6)
- 2-Fluoro-1,3-diisopropylbenzene (CAS 87591-05-7)
- 1-(2-Chloroethoxy)-2-diethoxyphosphoryl-ethane (CAS 69404-49-5)
- CP-100356 monohydrochloride (CAS 142715-48-8)
- (S)-3-(Toluene-4-sulfonyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester (CAS 371240-55-0)
- 4-(difluoromethoxy)azepane (CAS 1997176-83-6)
- 4-Propylnicotinaldehyde (CAS 90732-14-2)
- 6-Chloro-2-fluoro-3-methoxybenzoyl chloride (CAS 886499-63-4)
- 3-Boc-3,9-diaza-bicyclo[4.2.1]nonane tosylate (CAS 2305079-36-9)
- (4-(Tert-butyl)benzyl)hydrazine (CAS 51860-02-7)
- Liraglutide(14-22)TFA Salt (CAS CATO-C4X-199212)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com