5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine CAS 1218789-32-2
| CAS No. | 1218789-32-2 |
| Molecular Formula | C12H17BF3N3O2 |
| Molecular Weight | 303.09 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 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CAS 1218789-32-2), molecular formula C12H17BF3N3O2 and molecular weight 303.09 g/mol, is a CATO reference standard with documented purity and traceability.
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (C12H17BF3N3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C12H17BF3N3O2 |
| Molecular Weight | 303.09 g/mol |
| Appearance | Off-white to pale 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) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Tetramethyl Standards
- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine (CAS 1073354-46-7)
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)aniline (CAS 1256359-27-9)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)aniline (CAS 1256360-36-7)
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine (CAS 1268467-17-9)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine (CAS 1415748-20-7)
- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(2,2,2-trifluoroethoxy)pyridine (CAS 1416724-47-4)
- 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2(1H)-one (CAS 1706753-51-6)
- 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethoxy)aniline (CAS 2088729-74-0)
Recommended Standards
- 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine (CAS 1150561-66-2)
- 2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester (CAS 1150561-61-7)
- 6-bromo-3-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CAS 2648792-72-5)
- 1-[2-(Dimethylamino)ethyl]-1H-pyrazole-3-carboxylic acid (CAS 1341056-07-2)
- (4-((4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)oxy)phenyl)methanol (CAS 892154-51-7)
- 5-Benzyl-1,3,4-thiadiazole-2-thiol (CAS 29546-25-6)
- (5,6-Dihydro-2H-pyran-3-yl)methanamine hydrochloride (CAS 1803562-50-6)
- 5-Amino-6-formylpicolinic acid (CAS 1289160-12-8)
- 1-Bromo-3-chloropropane-d6 (CAS 1173018-46-6)
- 2-(4-Oxo-2-thioxothiazolidin-5-yl)acetic acid (CAS 701-23-5)
- (2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methanol (CAS 1228780-51-5)
- Di-N-butylgermaniumdichloride (CAS 4593-81-1)
- 4-(sec-Butyl)oxazol-5(4H)-one (CAS 88577-04-2)
- Hexapeptide-11 (CAS 161258-30-6)
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