7-fluoro-1H-indole
4-fluoroindole
CAS: 387-43-9
Molecular Formula: C8H6FN
7-fluoro-1H-indole - Names and Identifiers
| Name | 4-fluoroindole |
| Synonyms | 4-fluoroindole 4-FLUOROINDOLE 4-FLUORO-1H-INDOLE 7-fluoro-1H-indole 4-fluoro-1H-indole 4-FLUOROINDOLE(4FI) 1H-Indole, 4-fluoro- 4-FLUORO-2-METHYLINDOLE |
| CAS | 387-43-9 |
| EINECS | 625-248-2 |
| InChI | InChI=1/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H |
| InChIKey | ZWKIJOPJWWZLDI-UHFFFAOYSA-N |
7-fluoro-1H-indole - Physico-chemical Properties
| Molecular Formula | C8H6FN |
| Molar Mass | 135.14 |
| Density | 1.1203 (estimate) |
| Melting Point | 30-32°C(lit.) |
| Boling Point | 90°C0.4mm Hg(lit.) |
| Flash Point | 109.863°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.023mmHg at 25°C |
| Appearance | Light brown low melting point solid |
| Color | Yellow to tan |
| pKa | 16.40±0.30(Predicted) |
| Storage Condition | Sealed in dry,Store in freezer, under -20°C |
| Refractive Index | 1.646 |
| MDL | MFCD00055992 |
7-fluoro-1H-indole - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Hazard Note | Irritant |
7-fluoro-1H-indole - Reference Information
| Application | 4-fluoroindole can be used as a drug molecule and an intermediate in organic synthesis. Indole is an electron-rich heterocyclic system, many natural compounds The structure contains indole rings, and some indole derivatives are closely related to life activities, can be widely used in jasmine, lilac, orange blossom, gardenia, honeysuckle, lotus, narcissus, ylang ylang, grass orchid, white orchid and other flower flavor. A very small amount can be used in chocolate, rubus, strawberry, bitter orange, coffee, nuts, cheese, grapes and fruity compound flavors. |
| synthesis method | potassium carbonate (690 mg; 5.0 mmol) is added to the mixed solution of Boc-protected 4-fluoroindole precursor (400 mg) methanol (15 mL) and water (5 mL) , and the obtained suspension is stirred at room temperature The reaction mixture, the reaction progress was monitored by TLC point plate. After the reaction was over, the methanol was removed by rotary distillation and decompression concentration, and the resulting participants were added with ethyl acetate and brine for extraction, and the organic layer was separated. ethyl acetate (3 × 30 mL) was used to back extract the aqueous phase, all the organic layers were combined, the combined organic phase was dried with anhydrous magnesium sulfate, and the combined organic phase was concentrated by rotary evaporation under pressure. The target product 4-fluoroindole can be obtained by purifying the residue by silica gel (25g) column chromatography (mobile phase: petroleum ether/ether, gradient from 20/1 to 6/1). |
Last Update：2024-04-09 21:54:55
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