tert-Butyl 4-chloro-2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate CAS 1393575-79-5
| CAS No. | 1393575-79-5 |
| Molecular Formula | C12H16ClN3O2 |
| Molecular Weight | 269.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies tert-Butyl 4-chloro-2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (CAS 1393575-79-5), a certified reference material (molecular formula C12H16ClN3O2, MW 269.73 g/mol) for analytical method development and quality control.
The molecular framework of tert-Butyl 4-chloro-2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (C12H16ClN3O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine 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. 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.
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 | C12H16ClN3O2 |
| Molecular Weight | 269.73 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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 | 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- Methyl 2-(4-chloropiperidin-1-yl)-6-methylpyrimidine-4-carboxylate (CAS 1355215-16-5)
- tert-Butyl 2-chloro-7,8-dihydropyrido[3,2-d]pyrimidine-5(6H)-carboxylate (CAS 1421311-91-2)
- 4-Chloro-3-methanesulfonylbenzene-1-sulfonamide (CAS 1354950-54-1)
- 3-(4-Chlorophenyl)-2-methylisoquinolin-1(2H)-one (CAS 142338-11-2)
- (R)-3,4,4-Trimethoxytetrahydro-2h-pyran (CAS 1392218-92-6)
- 6-Bromo-3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (CAS 1418143-39-1)
- (S)-1-(3-chloro-2-methylphenyl)-2-methoxyethan-1-amine (CAS 1270013-54-1)
- 2,4-Dichloro-6-methylbenzoyl chloride (CAS 52207-67-7)
- tert-Butyl (octahydro-1H-isoindol-4-yl)carbamate (CAS 479090-81-8)
- 1-Bromo-9H-fluorene (CAS 28314-04-7)
- Tetracaine Impurity 8 (CAS 17599-02-9)
- (3S,4R)-1-(tert-butyl)-4-(p-tolyl)pyrrolidine-3-carboxylic acid (CAS 1002732-08-2)
- (8R)-2-Chloro-1,6,7,8-tetrahydro-8-(trifluoromethyl)-4H-pyrimido[1,2-a]pyrimidin-4-one (CAS 1260585-13-4)
- Des-Lys20(Side Chain)-Semaglutide (CAS CATO-C4X-2226280)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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