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40311-13-5

40311-13-5 Structure

40311-13-5 Structure
IdentificationBack Directory
[Name]

6-FLUORO-2-METHYLINDOLE
[CAS]

40311-13-5
[Synonyms]

106158
6-Flioro-2methylindole
6-FLUORO-2-METHYLINDOLE
1H-Indole, 6-fluoro-2-Methyl-
[Molecular Formula]

C9H8FN
[MDL Number]

MFCD09027714
[MOL File]

40311-13-5.mol
[Molecular Weight]

149.16
Chemical PropertiesBack Directory
[Melting point ]

100
[Boiling point ]

269℃
[density ]

1.219
[Fp ]

117℃
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

16.97±0.30(Predicted)
[Appearance]

White to yellow Solid
[InChI]

InChI=1S/C9H8FN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,11H,1H3
[InChIKey]

DQDVUUGKFGUZCF-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC(F)=C2)C=C1C
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Health Hazard (GHS08)
GHS05,GHS08
[Signal word ]

Danger
[Hazard statements ]

H314-H372-H317-H334-H350
[Precautionary statements ]

P501-P272-P260-P270-P202-P201-P264-P280-P284-P308+P313-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P405
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

6-FLUORO-2-METHYLINDOLE(40311-13-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-(4-fluoro-2-nitrophenyl)propan-2-one

39616-99-4

6-FLUORO-2-METHYLINDOLE

40311-13-5

Example 5: Synthesis of 6-fluoro-2-methylindole In a 100 mL stainless steel autoclave, 1.0 g (5.1 mmol) of 1-(4-fluoro-2-nitrophenyl)propan-2-one, 130 mg (4 mol%) of triruthenium tricarbonyl, 397 mg of 2,2'-bipyridine and 40 g of toluene were added and the system was reacted under nitrogen protection under the same conditions as in Example 4. After completion of the reaction, the reaction solution was quantitatively analyzed by high performance liquid chromatography (HPLC). The analytical results showed 100% conversion of 1-(4-fluoro-2-nitrophenyl)propan-2-one and gave 0.65 g (97.0% yield) of 6-fluoro-2-methylindole.

[References]

[1] Patent: US2007/83053, 2007, A1. Location in patent: Page/Page column 7
[2] Patent: US2007/83053, 2007, A1. Location in patent: Page/Page column 6
[3] Patent: US2007/83053, 2007, A1. Location in patent: Page/Page column 6
[4] Patent: US2007/83053, 2007, A1. Location in patent: Page/Page column 6
[5] Organic and Biomolecular Chemistry, 2016, vol. 14, # 44, p. 10511 - 10515
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