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Chemical Structure| 6294-31-1 Chemical Structure| 6294-31-1

Structure of 6294-31-1

Chemical Structure| 6294-31-1

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Product Details of [ 6294-31-1 ]

CAS No. :6294-31-1
Formula : C12H26S
M.W : 202.40
SMILES Code : CCCCCCSCCCCCC
MDL No. :MFCD00009528
InChI Key :LHNRHYOMDUJLLM-UHFFFAOYSA-N
Pubchem ID :80517

Safety of [ 6294-31-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 6294-31-1 ]

* 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 [ 6294-31-1 ]

[ 6294-31-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6294-31-1 ]
  • [ 161117-83-5 ]
  • tert-butyl (4-n-hexylthio-2-methoxy-3-pyridyl) carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
82.3% 4.48 g (20 mmol) of the compound obtained in the preceding step in solution in 100 ml of diethyl ether and 9.05 ml (60 mmol) of tetramethylethylene-diamine are placed in a reactor, protected from moisture, and under a nitrogen atmosphere. After having cooled the solution to -70 C., 37.5 ml (60 mmol) of n-butyllithium in hexane (1.6 M) are added dropwise.. The reaction medium is stirred for 2 hours at -10 C. and then 14.1 g (60 mmol) of dihexyl sulfide are added dropwise at -70 C. After stirring the solution for 12 hours at room temperature, the reaction medium is taken up in water and extracted with diethyl ether.. The organic phase is washed with hydrochloric acid (0.1 M) and then with water until a PH of the washings equal to 7 is obtained, and then finally dried over sodium sulfate.. After evaporation of the solvent, an oil is obtained which is chromatographed on a silica gel (eluent ethyl acetate-hexane: 1-5).. After evaporation of the solvent, 5.6 g of an oil is obtained which crystallizes, that is to say a yield of 82.3%.. Its melting point is between 72 and 74 C. TLC: (MERCK "Kieselgel 60" silica gel; AcOEt-hexane: 1-3); Rf=0.3 I.R.: upsilon NH=3171, CO=1720; NMR: (CDCl3): 0.85 (t, 3H); 1.3 (m, 4H); 1.45 (m, 11H); 1.7-1.8 (m, 2H); 3.0 (t, 2H); 4.25 (s, 3H); 6.7 (d, 1H, J=6.8 Hz); 7.85 (d, 1H, J=6.8 Hz).
 

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