4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-(trifluoromethoxy)benzyl)-1H-pyrazole CAS 1604036-79-4
| CAS No. | 1604036-79-4 |
| Molecular Formula | C17H20BF3N2O3 |
| Molecular Weight | 368.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-(trifluoromethoxy)benzyl)-1H-pyrazole (CAS 1604036-79-4) is a high-purity analytical reference standard with the molecular formula C17H20BF3N2O3 and a molecular weight of 368.16 g/mol.
The molecular framework of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-(trifluoromethoxy)benzyl)-1H-pyrazole (C17H20BF3N2O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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. 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 | C17H20BF3N2O3 |
| Molecular Weight | 368.16 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) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Tetramethyl Standards
- 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(4-trifluoromethoxybenzyl)-1H-pyrazole (CAS 1379615-57-2)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(3-(trifluoromethoxy)benzyl)-1H-pyrazole (CAS 1604036-63-6)
- Phenyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-acetic acid methyl ester (CAS 1029439-20-0)
- Methyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)benzoate (CAS 1813552-97-4)
- N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine-4-sulfonamide (CAS 2246696-15-9)
- N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine-4-sulfonamide (CAS 914606-94-3)
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(triisopropylsilyl)thiazole (CAS 1175534-91-4)
- 4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylmethanesulfonyl]-morpholine (CAS 1620955-85-2)
Recommended Standards
- (2S,3S,4aR,8aR)-2,3,4a,8a-Tetrahydro-7-iodo-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6(5H)-one (CAS 334700-48-0)
- Tricyclohexyltin Hydride (CAS 6056-50-4)
- 7-Ethyl-4-(4-fluoro-3-iodophenyl)-7H-imidazo[4,5-c]pyridazine (CAS 1614246-27-3)
- 1-(4-(Benzyloxy)-2-hydroxy-3-iodophenyl)ethanone (CAS 101096-64-4)
- 3-Hydroxy-2-methyl-5-(pyrrolidin-1-yl)cyclohexa-2,5-diene-1,4-dione (CAS 77357-56-3)
- 3-Hydroxy-1-(methylsulfanyl)cyclobutane-1-carboxylic acid (CAS 1479685-15-8)
- 2-(Isoxazol-5-yl)-5-methoxyphenol (CAS 107825-96-7)
- 2-Methyl-5-propoxyphenylboronic acid (CAS 1451391-64-2)
- 4-((2,2-Diphenylhydrazono)methyl)-N,N-dimethylaniline (CAS 71135-02-9)
- (3-(2-Methoxy-2-methylpropoxy)pyridin-4-yl)methanamine (CAS 1861324-75-5)
- 1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethan-1-one (CAS 205756-35-0)
- N-(2-(1H-Imidazo[1,2-b]pyrazol-1-yl)ethyl)-2-bromobenzamide (CAS 1796965-53-1)
- 2-(2,5-Dioxopyrrolidin-1-yl)-N-(4-(4-propoxyphenyl)thiazol-2-yl)acetamide (CAS 392324-75-3)
- Peptide YY (canine, mouse, porcine, rat) trifluoroacetate salt (CAS 81858-94-8)
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