1-tert-Butyl 3-methyl 4-((2,4-dichloropyrimidin-5-yl)methyl)piperazine-1,3-dicarboxylate CAS 2700529-05-9
| CAS No. | 2700529-05-9 |
| Molecular Formula | C16H22Cl2N4O4 |
| Molecular Weight | 405.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C16H22Cl2N4O4, 1-tert-Butyl 3-methyl 4-((2,4-dichloropyrimidin-5-yl)methyl)piperazine-1,3-dicarboxylate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 405.28 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 1-tert-Butyl 3-methyl 4-((2,4-dichloropyrimidin-5-yl)methyl)piperazine-1,3-dicarboxylate (CAS 2700529-05-9), a certified reference material (molecular formula C16H22Cl2N4O4, MW 405.28 g/mol) for analytical method development and quality control.
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 | C16H22Cl2N4O4 |
| Molecular Weight | 405.28 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
- 1-tert-Butyl 2-methyl 4-((2,4-dichloropyrimidin-5-yl)methyl)piperazine-1,2-dicarboxylate (CAS 2700539-03-1)
- 3-((3,4-Dichlorophenyl)diazenyl)-1-(morpholinomethyl)-1H-indol-2-ol (CAS 338391-74-5)
- 1-(4-(2,4-Dichlorophenyl)thiazol-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-5-amine (CAS 956795-96-3)
- 3-Bromo-2-(4-methoxyphenyl)-4,5-diphenylfuran (CAS 6628-71-3)
- N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzenesulfonamide (CAS 233761-16-5)
- Ethyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate (CAS 13267-52-2)
- 1,2-Bis(2-(trifluoromethyl)phenyl)ethane (CAS 287172-66-1)
- 2-Benzoyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS 93316-40-6)
- 5-Methyl-13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (CAS 135810-39-8)
- tert-Butyl 2-(((6-methoxypyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate (CAS 1353952-88-1)
- spiro[indene-1,4'-piperidine] (CAS 33042-66-9)
- 4-Methyl-[2,3'-bipyridin]-5-amine (CAS 1214379-41-5)
- (2-Chlorohexafluoroisopropyl)benzene (CAS 16878-50-5)
- Tirzepatide Impurity 21 X TFA Salt (CAS CATO-C4X-324021)
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