Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate CAS 1161005-04-4
| CAS No. | 1161005-04-4 |
| Molecular Formula | C13H12F3NO2 |
| Molecular Weight | 271.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate (CAS 1161005-04-4) is a high-purity analytical reference standard with the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol.
Structurally, Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate (C13H12F3NO2) 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 271.24 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).
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.
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 | C13H12F3NO2 |
| Molecular Weight | 271.24 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.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 2-(5-Methyl-2-(4-(trifluoromethyl)-phenyl)oxazol-4-yl)ethanol (CAS 141819-91-2)
- 1-(1-(3-(Trifluoromethyl)benzyl)-1H-1,2,3-triazol-4-yl)ethan-1-ol (CAS 1443291-26-6)
- 5-(Trifluoromethyl)-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one (CAS 1968119-40-5)
- (2-(4-(Trifluoromethyl)phenethyl)oxazol-4-yl)methanol (CAS 832730-22-0)
- 1-(3-(Trifluoromethyl)benzoyl)piperidin-4-one (CAS 439097-57-1)
- 2-(1-(3-(Trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol (CAS 924861-77-8)
- 3-{(Z)-1-[2-(trifluoromethyl)anilino]ethylidene}dihydro-2-furanone (CAS 685108-57-0)
- 6-(Trifluoromethyl)-2H-spiro[benzofuran-3,4'-piperidin]-2'-one (CAS 2379928-12-6)
Recommended Standards
- (E)-1-(4-fluorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one (CAS 102692-41-1)
- (2E)-3-(2-Fluorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one (CAS 1164552-83-3)
- 2-Cyclopentyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS 1018126-65-2)
- tert-Butyl 4-cyano-2-(trifluoromethyl)benzoate (CAS 1203952-56-0)
- 2,7-Dimethyl-2,3-dihydrobenzofuran-6-carbonitrile (CAS 55289-13-9)
- 2-(Chloromethyl)-5-iodopyridine (CAS 1225380-30-2)
- 1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazine (CAS 67869-94-7)
- 5-Fluoropyrimidine-4,6-diol (CAS 106615-61-6)
- 3-Methoxycyclobutanecarboxylic Acid (CAS 480450-03-1)
- (R)-3-aminopiperidine-2,6-dione (CAS 673485-72-8)
- N-((1,7-Dioxa-10-azaspiro[4.6]undecan-3-yl)methyl)-3-fluoroaniline (CAS 1422135-22-5)
- 4-Phenoxybenzamide (CAS 29921-15-1)
- N-(4-(2-Hydroxyphenyl)thiazol-2-yl)acetamide (CAS 78546-66-4)
- Semaglutide impurity 36 (CAS CATO-C4X-222636)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com