Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate CAS 1251001-37-2
| CAS No. | 1251001-37-2 |
| Molecular Formula | C16H16ClN3O2 |
| Molecular Weight | 317.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate 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.
CATO supplies Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate (CAS 1251001-37-2), a certified reference material (molecular formula C16H16ClN3O2, MW 317.77 g/mol) for analytical method development and quality control.
Benzyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate (C16H16ClN3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H16ClN3O2 |
| Molecular Weight | 317.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- N-(2-Chlorophenyl)-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3(4H)-yl)acetamide (CAS 1251614-93-3)
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- Cyanuric Bromide (CAS 14921-00-7)
- 5-Chloro-6-ethylpyrimidine-2,4(1H,3H)-dione (CAS 89466-52-4)
- tert-butyl 3-(iodomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate (CAS 1330763-32-0)
- Ethyl 2-(2-(2-(tosyloxy)ethoxy)ethoxy)acetate (CAS 1973409-43-6)
- 3-Bromo-1,2,4-trifluoro-5-iodobenzene (CAS 2451256-37-2)
- 2'-Fluoro-[1,1'-biphenyl]-4-carbohydrazide (CAS 259269-90-4)
- Fmoc-D-Oia-OH (CAS 2411591-46-1)
- 5-[(4-Methoxyphenyl)sulfanyl]-4-methyl-1,2,3-thiadiazole (CAS 338978-75-9)
- Methyl[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amine (CAS 1306405-48-0)
- 3-(Naphthalen-1-yl)aniline (CAS 728919-25-3)
- Procaterol Impurity 40 (CAS 63483-95-4)
- Semaglutide Impurity 161 (x TFA Salt) (CAS CATO-C4X-2226161)
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