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Chemical Structure| 6280-87-1 Chemical Structure| 6280-87-1

Structure of 5-Chlorovaleronitrile
CAS No.: 6280-87-1

Chemical Structure| 6280-87-1

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Product Details of [ 6280-87-1 ]

CAS No. :6280-87-1
Formula : C5H8ClN
M.W : 117.58
SMILES Code : N#CCCCCCl
MDL No. :MFCD00001977
InChI Key :JSAWFGSXRPCFSW-UHFFFAOYSA-N
Pubchem ID :80474

Safety of [ 6280-87-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301+H311+H331
Precautionary Statements:P261-P280-P301+P310-P311
Class:6.1
UN#:3276
Packing Group:

Application In Synthesis of [ 6280-87-1 ]

* 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 [ 6280-87-1 ]

[ 6280-87-1 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 6280-87-1 ]
  • [ 13519-75-0 ]
  • N-ethyl-N-(4-chlorophenyl)-1,5-diaminopentane [ No CAS ]
  • 3
  • [ 6280-87-1 ]
  • [ 13519-75-0 ]
  • C13H17ClN2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 110℃; for 6.5h; General procedure: A solution of the corresponding ω-halonitrile (2.5 mmol) in dimethylformamide (0.5 ml)was added over 1.5 h to a mixture of the arylamine (5 mmol), K2CO3 (345.5 mg, 2.5 mmol)and KI (830 mg, 5 mmol) in dimethylformamide (3 ml) for compounds 1 or dimethylformamide(0.6 ml) and dimethoxyethane (2.4 ml) for compounds 4. The mixture wasstirred at the indicated temperature for 5 h. After completion of the reaction, as indicatedby TLC, the mixture was diluted with ethyl ether (50 ml) and water (10 ml). The aqueousphase was separated and additionally extracted once with ethyl ether (30 ml). The combinedorganic layers were washed with water, dried over anhydrous sodium sulfate andfiltered. The filtrate was evaporated in vacuo and the resulting crude material was dissolvedin tetrahydrofuran and treated with 1M borane/THF (30 ml). The solution was refluxedfor 2 h, cooled and treated with methanol. The solvent was then evaporated in vacuo.The residue was refluxed with 10% hydrochloric acid (30 ml) for 2 h, filtered and madealkaline with 10% aqueous sodium hydroxide. The alkaline mixture was extracted withethyl acetate (4 × 20 ml). The organic phase was washed with water (5 ml), dried oversodium sulfate and filtered. The solvent was evaporated in vacuo and the crude product waspurified by column chromatography (silica gel, dichloromethane:methanol:isopropylamine10:1:0.1).
 

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