Benzyl (2S,4R)-2-(6-fluoro-1H-indole-3-carbonyl)-4-hydroxypyrrolidine-1-carboxylate CAS 1174655-35-6
| CAS No. | 1174655-35-6 |
| Molecular Formula | C21H19FN2O4 |
| Molecular Weight | 382.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Benzyl (2S,4R)-2-(6-fluoro-1H-indole-3-carbonyl)-4-hydroxypyrrolidine-1-carboxylate (CAS 1174655-35-6) is a high-purity analytical reference standard with the molecular formula C21H19FN2O4 and a molecular weight of 382.38 g/mol.
Benzyl (2S,4R)-2-(6-fluoro-1H-indole-3-carbonyl)-4-hydroxypyrrolidine-1-carboxylate (C21H19FN2O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C21H19FN2O4 |
| Molecular Weight | 382.38 g/mol |
| Appearance | Pale yellow to 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 5-[(3-Fluorophenyl)methyl]-7-(trifluoromethyl)-1H,3H,3aH,4H,5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one (CAS 1030939-22-0)
- Benzyl (2S,4S)-2-(6-fluoro-1H-indole-3-carbonyl)-4-hydroxypyrrolidine-1-carboxylate (CAS 1174655-38-9)
- Boc-Glu(OMe)-ONp (CAS 16947-07-2)
- 2-[4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-phenoxy]-propionic acid ethyl ester (CAS 1311278-18-8)
- tert-Butyl (2-(5-(hydroxymethyl)-1H-indol-3-yl)ethyl)carbamate (CAS 144432-49-5)
- 2-Bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CAS 842955-79-7)
- Ethyl 2-(7-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazin-3-yl)acetate (CAS 1031582-53-2)
- N-[2-(3,5-Dimethyl-1H-pyrazole-1-carbonyl)thiophen-3-yl]-N-methyl-4-propylbenzene-1-sulfonamide (CAS 1325306-95-3)
- 2-(Chloromethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid (CAS 1361902-02-4)
- 2-(Methylamino)-5-nitrobenzoic acid (CAS 3484-33-1)
- 4-(2-thiazol-2-ylethynyl)-1,2-benzoxazol-3-amine (CAS 2540035-38-7)
- Methyl (4r)-4-aminochromane-6-carboxylate (CAS 1213515-11-7)
- 8-Ethoxy-3-methyl-3H-purin-6-amine (CAS 185201-07-4)
- Compstatin control peptide (CAS 301544-78-5)
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