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Structure of 22009-40-1

Chemical Structure| 22009-40-1

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Product Details of [ 22009-40-1 ]

CAS No. :22009-40-1
Formula : C10H11NO
M.W : 161.20
SMILES Code : O=C1CCCC2=C1C=C(N)C=C2
MDL No. :MFCD07369817
InChI Key :IDNLVJHOEZJNHW-UHFFFAOYSA-N
Pubchem ID :327177

Safety of [ 22009-40-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 22009-40-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 22009-40-1 ]

[ 22009-40-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 22009-40-1 ]
  • [ 32001-55-1 ]
  • [ 2840-44-0 ]
YieldReaction ConditionsOperation in experiment
With sodium nitrite; In N2; Step A: 7-Fluoro-1-tetralone In a specially designed Kel-F reactor (cylindrical shape 1.25"od*3"h equipped with a screw cap and N2 inlet-outlet) was placed hydrogen fluoride-pyridine 6:4 solution (10 mL, prepared by diluting commercially available hydrogen fluoride-pyridine 7:3 solution with dry pyridine). 7-amino-tetralone (644 mg, 4.0 mmol), (Example 35, Step A) was added under N2 and the solution was cooled to 0°. Sodium nitrite (304 mg, 4.4 mol, 1.1 eq) was added in portions and the mixture was stirred for 30 minutes. The mixture was then heated at 90° C. for 1 hour with stirring. The reaction mixture was quenched with approx. 60 mL of ice/water and the solid that separated extracted with methylene chloride (3*30 mL). The combined extracts were washed with water and brine, dried over magnesium sulfate, filtered and evaporated to dryness under vacuum at room temperature. Purification by flash chromatography on silica, eluding with ethyl acetate/hexane (5:95), afforded pure 7-fluoro- 1-tetralone (367 mg, 2.2 mmol, 56percent). 1 H NMR (300 MHz, CDCl3): 2.13 (m,2H), 2.65 (t,7 Hz,2H), 2.94 (t,7 Hz,2H), 7.1-7.3 (m,2H), 7.69 (dd;2,8 Hz;1H). EI-MS: calculated for C10 H9 FO 164; found 164 (M+,71percent).
 

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