2-Methyl-1,4-diazepan-5-one 2,2,2-trifluoroacetate CAS 1390655-06-7
| CAS No. | 1390655-06-7 |
| Molecular Formula | C6H12N2O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Methyl-1,4-diazepan-5-one 2,2,2-trifluoroacetate (C6H12N2OC2HF3O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine 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.
2-Methyl-1,4-diazepan-5-one 2,2,2-trifluoroacetate (CAS 1390655-06-7), molecular formula C6H12N2OC2HF3O2 and molecular weight 242.20 g/mol, is a CATO reference standard with documented purity and traceability.
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 2-Methyl-1,4-diazepan-5-one 2,2,2-trifluoroacetate 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 | C6H12N2O C2HF3O2 |
| Molecular Weight | 242.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 2-[3-(1,4-Diazepan-1-yl)propyl]-2,3-dihydro-1h-isoindole-1,3-dione (CAS 1000511-61-4)
- 6-(4-Benzyl-1,4-diazepan-1-yl)nicotinonitrile (CAS 1007753-86-7)
- 2-[(1,4-Diazepan-1-yl)methyl]benzonitrile (CAS 1016677-87-4)
- 1-(1,4-Diazepan-1-yl)pentan-1-one (CAS 1016678-88-8)
- 1-(1,4-Diazepan-1-yl)-3-(4-methoxyphenyl)propan-1-one (CAS 1016684-28-8)
- 1-(1,4-Diazepan-1-yl)-2-(3-fluorophenyl)ethan-1-one (CAS 1016713-62-4)
- 1-(1,4-Diazepan-1-yl)-2-ethylbutan-1-one (CAS 1016723-43-5)
- 4-(1,4-Diazepan-1-yl)butanenitrile (CAS 1016744-05-0)
Recommended Standards
- 3-(3-Pyrrolidin-1-yl-propoxy)-benzoic acidhydrochloride (CAS 1185303-05-2)
- 7-(Trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine (CAS 1256793-74-4)
- 3,6-Dibromo-2-fluoropyridine (CAS 1256820-70-8)
- (S)-N1-((1-Benzylpyrrolidin-2-yl)methyl)-N1-methylethane-1,2-diamine (CAS 1354007-90-1)
- 2-ethyloxan-4-one (CAS 36233-82-6)
- 1-(4-Bromo-2-methylphenyl)-3-(1H-indol-3-yl)urea (CAS 899990-13-7)
- 5-Fluoro-2-(m-tolyloxy)aniline (CAS 937596-33-3)
- Ethyl 2-(((1R,2S)-2-hydroxy-1,2-diphenylethyl)amino)acetate (CAS 112835-62-8)
- Opicapone Impurity 45 (CAS CATO-C4X-240445)
- Semaglutide Impurity 158 (x TFA Salt) (CAS CATO-C4X-2226158)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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