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Structure of 13635-04-6

Chemical Structure| 13635-04-6

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Product Details of [ 13635-04-6 ]

CAS No. :13635-04-6
Formula : C5H9NO
M.W : 99.13
SMILES Code : CC(C)(O)CC#N
MDL No. :MFCD00043123
InChI Key :CWPMDJFBWQJRGT-UHFFFAOYSA-N
Pubchem ID :4568795

Safety of [ 13635-04-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H332
Precautionary Statements:P261-P280-P301+P312-P304+P340

Application In Synthesis of [ 13635-04-6 ]

* 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 [ 13635-04-6 ]

[ 13635-04-6 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 558-42-9 ]
  • [ 64-17-5 ]
  • [ 151-50-8 ]
  • [ 13635-04-6 ]
  • 3
  • [ 558-42-9 ]
  • [ 143-33-9 ]
  • [ 13635-04-6 ]
YieldReaction ConditionsOperation in experiment
90% In ethanol; water; for 3h;Heating / reflux; EXAMPLE 101W-KI SJ-i-taminocarbonylJ^^-dimethylpropyH-S^S-hydroxy-S-methylbutylJ^-oxo^.S-dihydro-IH-b enzimidazole-1-carboxamideSTEP 1. 3-hydroxy-3-methylbutanenitrile; To a solution of 1-chloro-2-methylpropan-2-ol (17 g, 0.16 mol) in ethanol (320 ml_) and water (55 ml_) was added sodium cyanide (9.4 g, 0.19 mol) and the mixture was refluxed. After 3 h, the mixture was cooled to rt and concentrated in vacuo. To the residue was added water and extracted with ethyl acetate. The combined organic layers were dried over magnesium sulfate and concentrated to give 14 g(90percent) of the title compound.1H-NMR (300 MHz, CDCI3) delta 2.54 (s, 2H), 2.03 (s, 1 H), 1.42 (s, 6H).
  • 4
  • [ 773837-37-9 ]
  • [ 558-42-9 ]
  • [ 13635-04-6 ]
YieldReaction ConditionsOperation in experiment
90% In ethanol; water; for 3h;Reflux; STEP 1. 3-hydroxy-3-methylbutanenitrileTo a solution of 1-chloro-2-methylpropan-2-ol (17 g, 0.16 mol) in ethanol (320 mL) and water (55 mL) was added sodium cyanide (9.4 g, 0.19 mol) and the mixture was refluxed. After 3 hours, the mixture was cooled to room temperature and concentrated in vacuo. To the residue was added water and extracted with ethyl acetate. The combined organic layers were dried over magnesium sulfate and concentrated to give 14 g (90percent) of the title compound.1H-NMR (300 MHz, CDCl3) delta 2.54 (s, 2H), 2.03 (s, 1H), 1.42 (s, 6H).
 

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