4,4,5,5-Tetramethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzyl)-1,3,2-dioxaborolane CAS 2096330-25-3
| CAS No. | 2096330-25-3 |
| Molecular Formula | C20H29B2F3O4 |
| Molecular Weight | 412.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 412.06 g/mol gives 4,4,5,5-Tetramethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzyl)-1,3,2-dioxaborolane distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4,4,5,5-Tetramethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzyl)-1,3,2-dioxaborolane (CAS 2096330-25-3), molecular formula C20H29B2F3O4 and molecular weight 412.06 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4,4,5,5-Tetramethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzyl)-1,3,2-dioxaborolane (C20H29B2F3O4) contains a steroid core, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 412.06 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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 | C20H29B2F3O4 |
| Molecular Weight | 412.06 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
Related Tetramethyl Standards
- 5'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde (CAS 1033752-94-1)
- 5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1h-pyrrolo[2,3-b]pyridine (CAS 1036028-17-7)
- 2-(2-Methyl-6-(2-(1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)vinyl)-4H-pyran-4-ylidene)malononitrile (CAS 159788-00-8)
- 2-Phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[2,3]benzofuro[6,5-d]oxazole (CAS 2784693-13-4)
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- 10-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]-10H-phenothiazine (CAS 2096997-15-6)
- 1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)-3-(4-(trifluoromethyl)pyridin-2-yl)urea (CAS 939968-45-3)
- 1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS 1071454-96-0)
Recommended Standards
- 1-(4-Bromophenyl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid (CAS 618383-13-4)
- 5,5'-Dibromo-[2,2'-bithiophene]-4,4'-dicarboxylic acid (CAS 1696391-77-1)
- Perfluoro-3,6,9-trioxadecanoic acid (CAS 151772-59-7)
- 1,1'-(Oxybis(4,1-phenylene))bis(2-bromoethan-1-one) (CAS 4073-80-7)
- N-(2-Hydroxy-1,1-dimethylethyl)-2-(methylamino)-acetamide hydrochloride (CAS 1219957-60-4)
- [6-(2-Chlorophenyl)-3-pyridyl]methanol (CAS 887974-37-0)
- 2-Phenylfuran-3-carboxylic acid (CAS 57697-76-4)
- 2,5-Dichloro-3-(difluoromethyl)pyridine-4-sulfonamide (CAS 1806804-38-5)
- 4-Chloro-2-cyclopropyl-5-nitropyrimidine (CAS 1217530-93-2)
- 2-(3-Methoxypropyl)cyclopentan-1-ol (CAS 1247519-64-7)
- 5-Deoxy-5-(methylthio)adenosine (CAS 3387-65-3)
- Rotigotine (CAS 99755-59-6)
- 4,4'-(((Piperidin-3-ylmethyl)azanediyl)bis(methylene))dibenzonitrile hydrochloride (CAS 1353985-11-1)
- Peptide T (CAS 106362-32-7)
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