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Cas Database |
| Name |
6-Fluoro-2-methylindole |
EINECS | N/A |
| CAS No. | 40311-13-5 | Density | 1.219 g/cm3 |
| PSA | 15.79000 | LogP | 2.61540 |
| Solubility | N/A | Melting Point |
100 |
| Formula | C9H8FN | Boiling Point | 269.24 °C at 760 mmHg |
| Molecular Weight | 149.168 | Flash Point | 116.632 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
6-Fluoro-2-methylindole; |
Article Data | 8 |
6-Fluoro-2-methylindole Synthetic route
- 39616-99-4
1-(4-fluoro-2-nitrophenyl)propan-2-one
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| With [2,2]bipyridinyl; carbon monoxide; dodecacarbonyltriruthenium(0) In toluene Product distribution / selectivity; | 97% |
| With carbon monoxide; cyclopentadienyl iron(II) dicarbonyl dimer In toluene at 120℃; for 9h; Product distribution / selectivity; | 95% |
| With carbon monoxide; tin(ll) chloride; bis-triphenylphosphine-palladium(II) chloride In 1,4-dioxane at 120℃; for 9h; Product distribution / selectivity; | 91% |
- 39616-99-4
1-(4-fluoro-2-nitrophenyl)propan-2-one
- 66-71-7
1,10-Phenanthroline
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| dodecacarbonyltriruthenium(0) In toluene Product distribution / selectivity; | 94% |
- 39616-99-4
1-(4-fluoro-2-nitrophenyl)propan-2-one
B
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| With hydrogen; 5%-palladium/activated carbon In butan-1-ol at 100℃; for 24h; Product distribution / selectivity; | A 25% B 70% C 3% |
| With hydrogen; 5%-palladium/activated carbon In 2-ethoxy-ethanol at 20℃; for 24h; Product distribution / selectivity; | A 11% B 17% C 55% |
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triethylamine / -30 - 20 °C 2: copper(l) iodide / N,N-dimethyl-formamide / 1 h / Reflux View Scheme |
- 1383976-65-5
5-fluoro-2-prop-1-ynylphenylamine
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| With copper(l) iodide In N,N-dimethyl-formamide for 1h; Reflux; | 1.1 g |
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| With 1,10-Phenanthroline; [(1,10-phenanthroline)Pd](tetrafluoroborate)2; carbon monoxide; triethylamine In acetonitrile at 150℃; under 15001.5 Torr; for 2.5h; Schlenk technique; Inert atmosphere; | 57 %Spectr. |
- 446-09-3
2-bromo-5-fluoronitrobenzene
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: caesium carbonate; palladium diacetate; triphenylphosphine / toluene / 5 h / 120 °C / Schlenk technique; Inert atmosphere 2: zinc; acetic acid / ethanol / 4 h / 70 °C / Inert atmosphere View Scheme |
- 40311-13-5
6-fluoro-2-methyl-1H-indole
- 98-86-2
acetophenone
- 1621004-91-8
2-methyl-6-fluoro-3-(1-phenylethenyl)-1H-indole
| Conditions | Yield |
|---|---|
| With 4-n-butyl-4-(3-sulfopropyl)thiomorpholinium 1,1-dioxide trifluoromethane sulfonate In neat (no solvent) at 60℃; for 0.25h; Ionic liquid; Green chemistry; | 95% |
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| With 2,6-di-tert-butyl-pyridine In dichloromethane at 25℃; for 0.166667h; regioselective reaction; | 94% |
- 617-35-6
2-oxo-propionic acid ethyl ester
- 40311-13-5
6-fluoro-2-methyl-1H-indole
| Conditions | Yield |
|---|---|
| With 3-(1,1-dioxido-4-(3-(3-(3-sulfopropyl)-1H-imidazol-3-ium-1-yl)propyl)thiomorpholino-4-ium)propane-1-sulfonate trifluoromethanesulfonate In acetic acid butyl ester at 80℃; for 0.5h; Green chemistry; | 93% |
6-Fluoro-2-methylindole Specification
The 6-Fluoro-2-methylindole, with the CAS registry number 40311-13-5, is also known as 6-Fluoro-2-methylindole. This chemical's molecular formula is C9H8FN and molecular weight is 149.16. What's more, its IUPAC name is 6-fluoro-2-methyl-1H-indole. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 6-Fluoro-2-methylindole are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 15.79Å2; (7)Index of Refraction: 1.627; (8)Molar Refractivity: 43.347 cm3; (9)Molar Volume: 122.357 cm3; (10)Polarizability: 17.184×10-24cm3; (11)Surface Tension: 44.196 dyne/cm; (12)Density: 1.219 g/cm3; (13)Flash Point: 116.632 °C; (14)Enthalpy of Vaporization: 48.692 kJ/mol; (15)Boiling Point: 269.24 °C at 760 mmHg; (16)Vapour Pressure: 0.012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2c(c1)nc(c2)C
(2)Std. InChI: InChI=1S/C9H8FN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,11H,1H3
(3)Std. InChIKey: DQDVUUGKFGUZCF-UHFFFAOYSA-N
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