1-(3,5-Difluoro-benzyl)-3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole CAS 1450642-72-4
| CAS No. | 1450642-72-4 |
| Molecular Formula | C18H23BF2N2O2 |
| Molecular Weight | 348.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-(3,5-Difluoro-benzyl)-3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (CAS 1450642-72-4), molecular formula C18H23BF2N2O2 and molecular weight 348.20 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(3,5-Difluoro-benzyl)-3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (C18H23BF2N2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.5, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 348.20 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C18H23BF2N2O2 |
| Molecular Weight | 348.20 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.) | 1992 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Difluoro Standards
- 1-(2,3-Difluoro-benzyl)-3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (CAS 2246773-50-0)
- 1,2-Difluoro-4-[2-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]ethyl]-benzene (CAS 107215-66-7)
- 1,2-Difluoro-4-((1S,4R)-4-(2-((1S,4S)-4-propylcyclohexyl)ethyl)cyclohexyl)benzene (CAS 117943-37-0)
- 2,6-Difluoro-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)benzenesulfonamide (CAS 1219904-36-5)
- 2,2-Difluoro-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]acetamide (CAS 338791-88-1)
- 1,3-Difluoro-2-(2-methoxy-5-nitrophenoxy)-5-(trifluoromethyl)benzene (CAS 2244087-66-7)
- 1,3-Difluoro-2-(4-methoxy-2-nitrophenoxy)-5-(trifluoromethyl)benzene (CAS 2244085-13-8)
- 2,2-Difluoro-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 338792-39-5)
Recommended Standards
- 1-[(2,5-Difluorophenyl)methyl]-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1450642-71-3)
- (4-(Triphenylen-2-yl)phenyl)boronic acid (CAS 1620765-26-5)
- Diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate (CAS 1309982-02-2)
- (3-((1-(tert-Butoxycarbonyl)piperidin-4-yl)carbamoyl)phenyl)boronic acid (CAS 1704074-10-1)
- 3-Bromo-2-methylpropanenitrile (CAS 53744-77-7)
- Methyl 4-methyloxane-4-carboxylate (CAS 443912-70-7)
- 5-(1,1-Dimethylethyl)-3-[(1,1-dimethylethyl)dimethylsilyl]-2-hydroxybenzaldehyde (CAS 954382-23-1)
- 1,2-Dibromo-3,3-dimethylbutane (CAS 640-21-1)
- 3-Amino-1-(2,3-dihydroxypropyl)-1H-pyrazole-4-carboxylic acid (CAS 108194-78-1)
- n-Butyl-3-methylcyclohexan-1-amine (CAS 55794-85-9)
- Salbutamol Impurity 103 (CAS CATO-C4X-1176103)
- Methyl 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate (CAS 7767-60-4)
- Myristoyl-Lys-Arg-Thr-Leu-Arg-OH (CAS 125678-68-4)
- Semaglutide impurity 83 (CAS CATO-C4X-222683)
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