4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-benzoic acid 4-chloro-phenyl ester CAS 1311279-75-0
| CAS No. | 1311279-75-0 |
| Molecular Formula | C21H16ClF3N2O2 |
| Molecular Weight | 420.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-benzoic acid 4-chloro-phenyl ester 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.
4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-benzoic acid 4-chloro-phenyl ester (CAS 1311279-75-0) is a high-purity analytical reference standard with the molecular formula C21H16ClF3N2O2 and a molecular weight of 420.81 g/mol.
Structurally, 4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-benzoic acid 4-chloro-phenyl ester (C21H16ClF3N2O2) 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 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 420.81 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C21H16ClF3N2O2 |
| Molecular Weight | 420.81 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Dimethylamino Standards
- 3-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-benzoic acid 4-chloro-phenyl ester (CAS 1311280-37-1)
- 1-(3-(Dimethylamino)propyl)-3-phenylurea (CAS 32022-55-2)
- 3-(3-(Dimethylamino)propyl)-1-(methyl(thiophen-2-ylmethyl)amino)-3-phenylindolin-2-one (CAS 33391-50-3)
- 4-(4-(Dimethylamino)phenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS 421567-27-3)
- N-(2-(dimethylamino)-3-methylbutyl)-4-(((4-methyl-2-oxo-2H-chromen-7-yl)oxy)methyl)benzamide (CAS 1016036-76-2)
- 1-(5,6-Bis(4-(dimethylamino)phenyl)-1,2,4-triazin-3-yl)piperidin-4-ol (CAS 59689-78-0)
- 1-(2-(Dimethylamino)ethyl)-3-hydroxy-4-(4-isopropoxy-2-methylbenzoyl)-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one (CAS 505079-88-9)
- 1-(2-(Dimethylamino)ethyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one (CAS 510712-18-2)
Recommended Standards
- (E)-4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)benzaldehyde O-(3-methoxybenzyl) oxime (CAS 1092343-78-6)
- Opicapone Impurity 86 (CAS CATO-C4X-240486)
- 2-[1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide (CAS 866152-59-2)
- Cyclotriacontane (CAS 297-35-8)
- tert-Butyl 6-oxa-1,9-diazaspiro[3.6]decane-1-carboxylate (CAS 1251022-85-1)
- 2-(3,4-Dihydroxycyclohexa-2,4-dien-1-yl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one (CAS 1556542-32-5)
- Cc-1065 (CAS 69866-21-3)
- 2-Ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CAS 223700-11-6)
- (2R,3R,4S,5S,6R)-2-methoxy-6-methyltetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS 53942-13-5)
- 7-Aminoheptanoic Acid Methyl Ester HCl (CAS 17994-94-4)
- n-(2,4-Difluorobenzyl)-2-(pyrrolidin-1-yl)ethan-1-amine (CAS 827327-17-3)
- N-Methyl-2-oxopyrrolidine-1-carboxamide (CAS 63987-03-1)
- methyl cis-4-hydroxy-5-oxo-pyrrolidine-2-carboxylate (CAS 51163-88-3)
- Tau Peptide (244-274) (Repeat 1 Domain) trifluoroacetate salt (CAS 330456-24-1)
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