3-(3-Bromo-4,5-dimethoxyphenyl)-6-(pyrrolidin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine CAS 87540-18-9
| CAS No. | 87540-18-9 |
| Molecular Formula | C21H20BrN5O2 |
| Molecular Weight | 454.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-(3-Bromo-4,5-dimethoxyphenyl)-6-(pyrrolidin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine (CAS 87540-18-9), molecular formula C21H20BrN5O2 and molecular weight 454.32 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(3-Bromo-4,5-dimethoxyphenyl)-6-(pyrrolidin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine (C21H20BrN5O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C21H20BrN5O2 |
| Molecular Weight | 454.32 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 5 |
Related Bromo Standards
- [[5-bromo-6-methoxy-1-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-2-naphthalenyl]oxy]-acetic Acid (CAS 123021-35-2)
- (E)-1-((4-bromo-3-methylphenyl)amino)-4-((2-fluoro-[1,1'-biphenyl]-4-yl)oxy)pent-1-en-3-one (CAS 477888-51-0)
- N-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 618415-18-2)
- N-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 573937-62-9)
- N-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 577766-41-7)
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- methyl 7-bromo-8-(1-hydroxy-1-methyl-ethyl)-2-oxo-selenopheno[3,2-h]chromene-3-carboxylate (CAS 2173398-07-5)
Recommended Standards
- 4-[5-(2,4-Dichlorophenyl)-1H-pyrazol-3-yl]-1-{[3-(trifluoromethyl)phenyl]methyl}piperidine (CAS 1025724-79-1)
- 3,3''-Bis(trifluoromethyl)-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid (CAS 2308530-30-3)
- Naphthalen-2-yl 2-(4-bromophenyl)quinoline-4-carboxylate (CAS 355433-81-7)
- Naphthalen-1-yl 2-(4-bromophenyl)quinoline-4-carboxylate (CAS 355433-80-6)
- 5-amino-2-fluoro-4-methyl-N-phenylbenzene-1-sulfonamide (CAS 1409737-58-1)
- 4-(Dimethylamino)-6-phenyl-2-(pyridin-3-yl)pyrimidine-5-carbonitrile (CAS 320417-70-7)
- N,N-diisopropyl-4-nitrobenzamide (CAS 79606-48-7)
- 4-Chloro-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one (CAS 1211528-07-2)
- (S)-Benzyl (1-fluoro-2-(2-fluorophenyl)-4-oxobutan-2-yl)carbamate (CAS 2091721-25-2)
- (3-(Hydroxymethyl)phenyl)hydrazine (CAS 143445-58-3)
- N-Methyl-1-(3-methylquinoxalin-2-yl)methanamine (CAS 137898-63-6)
- 8-Oxo-7-thioguanosine (CAS 122970-43-8)
- 482-53-1 4H,2-b:3,4-b']dipyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)- 4H,2-b:3,4-b']dipyran-4-one, 5-hydroxy-3-(p-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)- NSC-21565 NSC21565 OSAJIN (CAS 482-53-1)
- Tirzepatide Impurity 43 (CAS CATO-C4X-324043)
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