Basic information Safety Supplier Related

6-Fluoro-1-tetralone

Basic information Safety Supplier Related

6-Fluoro-1-tetralone Basic information

Product Name:
6-Fluoro-1-tetralone
Synonyms:
  • 6-Fluoro-1-tetralone
  • 6-Fluoro-α-Tetralone
  • 5-FLUORO-L-INDOMONE
  • 6-Fluoro-3,4-dihydro-2H-naphthalen-1-one
  • 6-Fluoro-3,4-dihydro-2H-phthalen-1-one
  • 6-fluoro-2,3,4,4a-tetrahydronaphthalen-1(8aH)-one
  • 6-fluoro-1,2,3,4-tetrahydronaphthalen-1-one
  • 6-FLUORTETRAL-1-ONE
CAS:
703-67-3
MF:
C10H9FO
MW:
164.18
EINECS:
826-060-5
Mol File:
703-67-3.mol
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6-Fluoro-1-tetralone Chemical Properties

Boiling point:
75 °C(Press: 0.6 Torr)
Density 
1.198±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
Appearance
Colorless to off-white <24.5°C Solid,>24.5°C Liquid
InChI
InChI=1S/C10H9FO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
InChIKey
NJYZZEHPEKDFEK-UHFFFAOYSA-N
SMILES
C1(=O)C2=C(C=C(F)C=C2)CCC1
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Safety Information

HS Code 
2914790090
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6-Fluoro-1-tetralone Usage And Synthesis

Synthesis

70631-88-8

703-67-3

General procedure for the synthesis of 6-fluoro-1-tetralone from 4-(3-fluorophenyl)butyric acid: a mixture of 4-(3-fluorophenyl)butyric acid (1.92 g, 10.5 mmol) and polyphosphoric acid (2 g) was heated under nitrogen protection at 110°C for 2 hours. After completion of the reaction, it was cooled to room temperature, the reaction was quenched with water and the reaction mixture was diluted with ether. Subsequently, it was washed with saturated aqueous sodium bicarbonate (2 times), the organic phase was dried with anhydrous sodium sulfate and concentrated to give 6-fluoro-1-tetralone (1.51 g, 87% yield). The product was characterized by NMR (400 MHz, CDCl3): δ 2.16 (m, 2H), 2.64 (t, 2H), 2.97 (t, 2H), 6.92 (dd, 1H), 6.99 (dt, 1H), 8.04 (dd, 1H).

References

[1] Patent: WO2005/92854, 2005, A1. Location in patent: Page/Page column 2
[2] Synthetic Communications, 1991, vol. 21, # 8-9, p. 981 - 987
[3] Patent: WO2006/66790, 2006, A1. Location in patent: Page/Page column 71-73
[4] Patent: WO2006/66745, 2006, A1. Location in patent: Page/Page column 21-22
[5] Patent: US2007/293526, 2007, A1. Location in patent: Page/Page column 29

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