Benzyl 2,4-dichloro-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate CAS 1207362-38-6
| CAS No. | 1207362-38-6 |
| Molecular Formula | C16H15Cl2N3O2 |
| Molecular Weight | 352.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Benzyl 2,4-dichloro-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate.
Benzyl 2,4-dichloro-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate (CAS 1207362-38-6), molecular formula C16H15Cl2N3O2 and molecular weight 352.22 g/mol, is a CATO reference standard with documented purity and traceability.
Benzyl 2,4-dichloro-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate (C16H15Cl2N3O2) 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C16H15Cl2N3O2 |
| Molecular Weight | 352.22 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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 |
Related Benzyl Standards
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- 4-[[(2,5-Dichloro-3-thienyl)sulfonyl]amino]benzoic acid (CAS 379729-17-6)
- 3,6-Dichloro-N-(2-methoxyphenyl)benzo[b]thiophene-2-carboxamide (CAS 332156-56-6)
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- N-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide (CAS 178907-19-2)
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Recommended Standards
- Upadacitinib Impurity 185 (CAS CATO-C4X-2405185)
- Tert-butyl 6'-bromo-1'-oxo-1',3'-dihydrospiro[azetidine-3,2'-indene]-1-carboxylate (CAS 1245523-49-2)
- Upadacitinib Impurity 17 (CAS 1201186-54-0)
- 3-(((4,7-Dichlorobenzo[d]oxazol-2-yl)methyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one (CAS 135525-78-9)
- (3aR,7aR)-Hexahydroisobenzofuran-1,3-dione (CAS 71749-03-6)
- 2-Amino-4-bromo-6-chlorophenol (CAS 855836-14-5)
- (R)-methyl 3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoate (CAS 881995-73-9)
- 1'-nitroso-1,4'-bipiperidine (CAS 2639422-25-4)
- 1-(4-Methylbenzyl)guanidine (CAS 13333-41-0)
- 2-(4-Bromopyridin-2-yl)-5-methyl-1,3,4-oxadiazole (CAS 380380-59-6)
- (R)-3-(3-Aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid (CAS 170157-56-9)
- 2-Formyl-4,5-dimethoxyphenylboronic Acid (CAS 1005346-96-2)
- Capivasertib Impurity 34 (CAS CATO-C4X-331234)
- Insulin Degludec Impurity 9 (CAS CATO-C4X-21579)
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