5-(Trifluoromethyl)indole manufacturers
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| | 5-(Trifluoromethyl)indole Basic information |
| | 5-(Trifluoromethyl)indole Chemical Properties |
| Melting point | 67-70 °C | | Boiling point | 256.7±35.0 °C(Predicted) | | density | 1.367±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder | | pka | 15.94±0.30(Predicted) | | color | Yellow | | Sensitive | Light Sensitive | | InChI | 1S/C9H6F3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H | | InChIKey | LCFDJWUYKUPBJM-UHFFFAOYSA-N | | SMILES | FC(F)(F)c1ccc2[nH]ccc2c1 | | CAS DataBase Reference | 100846-24-0(CAS DataBase Reference) |
| Hazard Codes | Xi,T | | Risk Statements | 25-36/37/38 | | Safety Statements | 26-36/37-45 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | HazardClass | IRRITANT | | PackingGroup | Ⅲ | | HS Code | 2933998090 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 2 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 5-(Trifluoromethyl)indole Usage And Synthesis |
| Uses | In 3-Naphthylindole construction by rhodium (II)-catalyzed regioselective direct arylation of indoles with 1-diazonaphthalen-2-(1H)-ones treatment of 5-(trifluoromethyl)indole(1k) or 6-(trifluoromethyl)indole (1l) with 2a afforded the desired products 3k (86%)and 3l (86%). | | Synthesis | Step 5 Synthesis of 5-(trifluoromethyl)indole
To a 250 mL three-necked round-bottomed flask was added N-[2-(3,3-dimethyl-3-silyl-1-ynyl)-4-(trifluoromethyl)phenyl]ethoxycarboxamide (31.5 g, 0.1 mol), EtONa (32.5 g, 0.48 mol) and anhydrous ethanol (200 mL). The reaction mixture was heated to reflux and kept for 2 hours. After completion of the reaction, the mixture was concentrated under reduced pressure. The residue was purified by fast column chromatography on silica gel, using a petroleum ether solution of 25% ethyl acetate as eluent to give 14 g (77% yield) of the target product 5-(trifluoromethyl)indole.
1H NMR (300 MHz, DMSO-d6) δ: 8.36 (s, 1H), 7.96-7.94 (m, 1H), 7.46-7.44 (m, 2H), 7.32-7.30 (m, 1H), 6.66-6.64 (m, 1H). | | References | [1] Patent: US2010/120741, 2010, A1. Location in patent: Page/Page column 92
[2] Patent: WO2011/112731, 2011, A2. Location in patent: Page/Page column 197-198 |
| | 5-(Trifluoromethyl)indole Preparation Products And Raw materials |
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