5-Trifluoromethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester CAS 1042598-29-7
| CAS No. | 1042598-29-7 |
| Molecular Formula | C11H19F3N2O2 |
| Molecular Weight | 268.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Trifluoromethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester (C11H19F3N2O2) 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, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
5-Trifluoromethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester (CAS 1042598-29-7) is a high-purity analytical reference standard with the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 5-Trifluoromethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester 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 | C11H19F3N2O2 |
| Molecular Weight | 268.28 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 DMSO, DMF, methanol |
| 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.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoromethyl Standards
- (3-Trifluoromethyl-piperidin-4-yl)-carbamic acid tert-butyl ester (CAS 1260780-34-4)
- 2-(((1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)thio)acetic acid (CAS 1171528-99-6)
- (2-Trifluoromethyl-thiazol-4-yl)-carbamic acid tert-butyl ester (CAS 1180526-71-9)
- 2-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)acetonitrile (CAS 883024-46-2)
- 3-methyl-6-(trifluoromethyl)benzothiophene-2-carboxylic acid (CAS 863119-07-7)
- Methyl(3'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)sulfane (CAS 844856-50-4)
- 3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CAS 1018170-82-5)
- 8-Phenyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CAS 794479-16-6)
Recommended Standards
- 4-[(2-Fluoro-4-nitrophenoxy)methyl]-1-methylpiperidine (CAS 1000052-54-9)
- 4-(2-Methylpiperidin-1-yl)-3-(trifluoromethyl)benzonitrile (CAS 1140507-92-1)
- Disperse Red 11 (CAS 2872-48-2)
- (2,5-Dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methanamine (CAS 1177277-74-5)
- 3-Isopropylcyclohexanone (CAS 23396-36-3)
- 6-Ethoxybenzo[d]thiazole-2-carboxylic acid (CAS 13789-94-1)
- Ethyl 8-oxo-8-(3,4,5-trichlorophenyl)octanoate (CAS 951887-63-1)
- ((1s,4r)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-en-2-yl)boronic acid (CAS 871333-99-2)
- (3S,4S)-3,4-Difluoropyrrolidine hydrochloride (CAS 1279037-05-6)
- 4-Chloro-N-(piperidin-3-ylmethyl)pyrimidin-2-amine (CAS 939986-01-3)
- MEthyl 3'-fluoro[1,1'-biphenyl]-3-carboxylate (CAS 80254-84-8)
- Methyl 3-Bromo-4-cyanobenzoate (CAS 942598-44-9)
- (S)-2-Morpholinopropanoic acid (CAS 110582-65-5)
- Experimental Allergic Encephalitogenic Peptide (CAS 29705-92-8)
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