11-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one CAS 339012-01-0
| CAS No. | 339012-01-0 |
| Molecular Formula | C20H14ClF3N4O |
| Molecular Weight | 418.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
11-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one (CAS 339012-01-0), molecular formula C20H14ClF3N4O and molecular weight 418.80 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 11-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one (C20H14ClF3N4O) 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 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 418.80 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.
CATO manufactures 11-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H14ClF3N4O |
| Molecular Weight | 418.80 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloro Standards
- 5-[(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 321432-02-4)
- (2R)-3-Chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]propyl ester 4-Methoxybenzoic Acid (CAS 1253202-35-5)
- 4-Chloro-N-[3-(5-(trifluoromethyl)pyridin-2-yl)-[1,2,4]--oxadiazol-5-ylmethyl]benzenesulphonamide (CAS 1311278-40-6)
- 2-Chloro-N-[5-(5-(trifluoromethyl)pyridin-2-yl)--[1,2,4]oxadiazol-3-ylmethyl]benzenesulphonamide (CAS 1311279-94-3)
- Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(4-fluorophenyl)methyl]carbamoyl}acetate (CAS 478063-75-1)
- N-(4-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-3-(2,2,2-trifluoroacetamido)propanamide (CAS 439108-90-4)
- (6-{3-[(4-Chloro-phenyl)-hydrazonomethyl]-phenyl}-4-trifluoromethyl-pyridin-2-yl)-dimethyl-amine (CAS 1311283-91-6)
- (6-{4-[(4-Chloro-phenyl)-hydrazonomethyl]-phenyl}-4-trifluoromethyl-pyridin-2-yl)-dimethyl-amine (CAS 1311283-99-4)
Recommended Standards
- 1-(2-(1H-indol-3-yl)ethyl)-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidin-4(1H)-one (CAS 551930-80-4)
- N'-[(1E)-[2-(4-Chlorophenoxy)phenyl]methylidene]-4-(trifluoromethyl)benzohydrazide (CAS 338393-72-9)
- Ethyl 7-amino-2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 303150-39-2)
- 5-Amino-N-(5-chloro-2-methoxyphenyl)-1-{[(2-fluorophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide (CAS 901046-29-5)
- 5-Bromo-3-hydrazinyl-2-methoxypyrazine (CAS 1334135-54-4)
- (R)-1-(tert-butoxycarbonyl)-2-(3,4-difluorobenzyl)pyrrolidine-2-carboxylic acid (CAS 959578-29-1)
- 5-[(tert-butoxy)methyl]-1,2-oxazole-3-carboxylic acid (CAS 1248499-31-1)
- Dimethyl 5-amino-4-hydroxyisophthalate (CAS 99060-94-3)
- N-(2-phenoxyethyl)tetrahydro-2H-pyran-4-amine hydrochloride (CAS 1803586-92-6)
- 4-Amino Levamisole (CAS 76497-82-0)
- Ibrexafungerp Impurity 1 (CAS 1207755-38-1)
- 4-Methoxycinnamylidene Acetaldehyde (CAS 27394-81-6)
- (S)-2-(1-Aminoethyl)-4-chlorophenol (CAS 1228569-39-8)
- Des-Pro-Pro-Tirzepatide (CAS CATO-CPTD788696)
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