Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate CAS 164353-12-2
| CAS No. | 164353-12-2 |
| Molecular Formula | C15H16F3NO2 |
| Molecular Weight | 299.29 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 Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate.
Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate (CAS 164353-12-2) is a high-purity analytical reference standard with the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol.
Structurally, Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate (C15H16F3NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 299.29 g/mol, it falls into the medium-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 | C15H16F3NO2 |
| Molecular Weight | 299.29 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Isopropyl Standards
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Recommended Standards
- N-(6-(3,5-Dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)-2-(1H-tetrazol-1-yl)acetamide (CAS 1428378-48-6)
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- 13-Bromo-2,6,10-trimethyltrideca-2,6,10-triene (CAS 140176-36-9)
- 2-((tert-Butoxycarbonyl)amino)-2-(5-fluoro-2-methoxyphenyl)acetic acid (CAS 1869416-63-6)
- Sodium octadecyl sulfate (CAS 1120-04-3)
- Methyl 4'-(benzyloxy)-[1,1'-biphenyl]-4-carboxylate (CAS 126675-89-6)
- 3-((Dimethylamino)methyl)-4-propoxybenzaldehyde hydrochloride (CAS 1185007-44-6)
- (S)-2-Amino-3-(2-chlorophenyl)propan-1-ol (CAS 103616-91-7)
- 2-Cyclohexylpropanal (CAS 2109-22-0)
- (R)-2-amino-3-(4-iodophenyl)propan-1-ol (CAS 210554-97-5)
- N1-{4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluorophenyl}-2,3,3-trichloroacrylamide (CAS 243963-14-6)
- (3,3-Dimethyloxiran-2-yl)methanol (CAS 18511-56-3)
- Ethyl 2-fluoro-2-methyl-3-oxo-3-phenylpropanoate (CAS 193482-31-4)
- [2-31]-Semaglutide C (x TFA Salt) (CAS CATO-C4X-2226118)
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