5-(Trifluoromethyl)indole
5-(Trifluoromethyl)indole Basic information
- Product Name:
- 5-(Trifluoromethyl)indole
- Synonyms:
-
- 1H-INDOLE, 5-(TRIFLU OROMETHYL)- (9CI)
- 5-TRIFLUOROMETHYL INDOLE ,98%
- 5-(Trifluoromethyl)-1H-indole
- 1H-Indole,5-(trifluoroMethyl)-
- 5-(TRIFLUOROMETHYL)INDOLE
- 5-(Trifluoromethyl)indole 97%
- Ethane,1-(2-bromoethoxy)-2-(5-methoxyethoxy)-
- CAS:
- 100846-24-0
- MF:
- C9H6F3N
- MW:
- 185.15
- Product Categories:
-
- Heterocyclic Building Blocks
- Indole/indoline/oxindole
- Indole and Indoline
- Building Blocks
- C7 to C10
- C7 to C9
- Chemical Synthesis
- Halogenated Heterocycles
- Indole
- Indoles
- Chemical Synthesis
- Halogenated Heterocycles
- Heterocyclic Building BlocksHeterocyclic Building Blocks
- New Products for Chemical Synthesis
- Mol File:
- 100846-24-0.mol
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
- pka
- 15.94±0.30(Predicted)
- form
- powder
- color
- Yellow
- Sensitive
- Light Sensitive
- InChIKey
- LCFDJWUYKUPBJM-UHFFFAOYSA-N
- CAS DataBase Reference
- 100846-24-0(CAS DataBase Reference)
Safety Information
- 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
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
1217302-64-1
100846-24-0
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
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5-(Trifluoromethyl)indole(100846-24-0)Related Product Information
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