1-(3-Fluoro-2-methylbenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole CAS 1604036-88-5
| CAS No. | 1604036-88-5 |
| Molecular Formula | C17H22BFN2O2 |
| Molecular Weight | 316.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(3-Fluoro-2-methylbenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1604036-88-5), molecular formula C17H22BFN2O2 and molecular weight 316.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(3-Fluoro-2-methylbenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (C17H22BFN2O2) 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 its high hydrophobicity (logP), 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.
CATO manufactures 1-(3-Fluoro-2-methylbenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H22BFN2O2 |
| Molecular Weight | 316.18 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 |
| 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 Fluoro Standards
- 1-(4-Fluoro-2-methylbenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1604036-89-6)
- 1-(2-Fluoro-3-methylbenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1604036-95-4)
- 5-Ethyl-1-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol (CAS 2763158-74-1)
- 5-Ethyl-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol (CAS 2763159-04-0)
- (2-Fluoro-4-methyl-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid (CAS 1704121-45-8)
- Ethyl 1-(2-fluoro-5-(trifluoromethyl)benzyl)-1H-imidazole-4-carboxylate (CAS 1260789-05-6)
- 2-Ethyl-3-fluoro-5-iodoquinolin-6-amine (CAS 2758535-05-4)
- 5-(5-Fluoro-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 743444-70-4)
Recommended Standards
- 1-(1-(4-Fluorophenyl)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1604036-73-8)
- {1-[(4-iodophenyl)methyl]pyrrolidin-2-yl}methanamine (CAS 1481798-77-9)
- 1H-Pyrazole, 1-[(5-fluoro-2-methylphenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- (CAS 1604036-92-1)
- 1-(3,4-dichlorophenyl)-4-(diethoxymethyl)-1H-1,2,3-triazole (CAS 1461706-25-1)
- 1-(methylaminomethyl)cyclopropanol (CAS 1574120-52-7)
- 2-(6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl)acetohydrazide (CAS 1221792-29-5)
- 2,2-Dimethylpropane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (CAS 10493-50-2)
- 4-Ethynyl-3-methylbenzaldehyde (CAS 1599432-51-5)
- 631-40-3 Ammonium, tetrapropyl-, iodide 1-Propanaminium, N,N,N-tripropyl-, iodide Tetrapropylammonium iodide 1-Propanaminium, N,N,N-tripropyl-, iodide (1:1) EINECS 211-157-1 NSC 36747 Tetra-n-propylammonium iodide N,N,N-Tripropyl-1-propanaminium iodide (CAS 631-40-3)
- 2-Fluoro-6-(trifluoromethyl)isonicotinic acid (CAS 1227579-85-2)
- 3-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-N-methyl-benzamide (CAS 1311278-98-4)
- 1-Benzyl-3,4-bis[(4-chlorophenyl)sulfanyl]pyrrolidine-2,5-dione (CAS 321433-52-7)
- (6aR,6bS)-3,10-Diamino-14-methyl-5,6,6a,6b,7,8-hexahydro-2H-pyrimido[4'',5'':2',3'][1,4]diazepino[6',5':3,4]pyrrolo[1,2-f]pteridine-1,12-dione (CAS 33466-46-5)
- Atrial Natriuretic Polypeptide (4-28), human (CAS 95896-08-5)
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