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Chemical Structure| 70097-89-1 Chemical Structure| 70097-89-1

Structure of 70097-89-1

Chemical Structure| 70097-89-1

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Product Details of [ 70097-89-1 ]

CAS No. :70097-89-1
Formula : C6H7NO2
M.W : 125.13
SMILES Code : N#CC1C(C)OCC1=O
MDL No. :MFCD24693954

Safety of [ 70097-89-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 70097-89-1 ]

* 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 [ 70097-89-1 ]

[ 70097-89-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 7397-62-8 ]
  • [ 70097-89-1 ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran; (a) 72.6 g (0.55 mol) of <strong>[7397-62-8]butyl glycolate</strong> are added dropwise to 12 g (0.5 mol) of sodium hydride in 500 ml of tetrahydrofuran. The resulting green-brown mixture is treated at reflux temperature with 36.9 g of crotonic acid nitrile in 50 ml of tetrahydrofuran and the mixture is held at reflux temperature for 90 minutes. The cooled mixture is adjusted to pH 9 with sodium bicarbonate solution and washed three times with ether. The aqueous phase is acidified to pH 1 with hydrochloric acid and extracted four times with ether. The dried and concentrated ether phases give 29.1 g of 4-cyano-5-methyl-tetrahydrofuran-3-one of boiling point 112-116 C./13 Torr; GC (Carbowax, 180 C.) one peak; IR (film): 2250 (multiplet CN); 1783 (singlet, C=O).
 

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