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Chemical Structure| 56539-66-3 Chemical Structure| 56539-66-3

Structure of 56539-66-3

Chemical Structure| 56539-66-3

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Product Details of [ 56539-66-3 ]

CAS No. :56539-66-3
Formula : C6H14O2
M.W : 118.17
SMILES Code : CC(C)(OC)CCO
MDL No. :MFCD00044771
InChI Key :MFKRHJVUCZRDTF-UHFFFAOYSA-N
Pubchem ID :62118

Safety of [ 56539-66-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H227-H302
Precautionary Statements:P501-P210-P280-P370+P378-P403+P235

Application In Synthesis of [ 56539-66-3 ]

* 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 [ 56539-66-3 ]

[ 56539-66-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 56539-66-3 ]
  • [ 34334-96-8 ]
  • C10H17N3O3 [ No CAS ]
  • C10H17N3O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
880 mg; 493 mg General procedure: Mcthancsulfonyl chloride (6.683 mL, 1.48 g/mL, 86.338 mmol) was added to a solution of 3-methoxy-3-methylbutanol (5 g, 42.31 mmol ) and Et-,N (17.661 mL, 0.728 g/mL, 127.059 mmol ) in DCM (477.33 mL, 1 .326 g/mL, 7452.28 mmol) at rt and the reaction mixture was stirred for 18h. Water was added. The organic layer was separated, washed with I N HCI(aq) then with brine before drying over MgSC>4. The organic layer was filtered and evaporated to afford a mixture on intermediate 778 and 778' (10.3 g, quantitative yield ) that was used directly in the next step. Bromo-3-methoxypropane (1.20 mL, 10.51 mmol) was added at rt to a mixture of 5-nitro-lH-pyrazole (1.00 g, 8.84 mmol), 2 (2.35 g, 17.00 mmol) in DMF (10 mL).This reaction was stirred in a sealed tube at 120 C using one single mode microwave(Biotage Initiator EXP 60) with a power output ranging from 0 to 400 W for 30 min.Then, water was added and this mixture was extracted twice with EtOAc. The organic10 layers were mixed, dried over MgS04, filtered and the solvent was evaporated untildryness. The residue was purified by column chromatography on silica gel (IrregularSiOH, 40 |im, 80 g, mobile phase: gradient from 70% heptane, 29% EtOAc, 1% MeOH(+10% NH4OH) to 40% heptane, 52% EtOAc, 8% MeOH (+10% NH4OH)). The purefractions were collected and the solvent was evaporated until dryness to give 1.39 g of15 intermediate 56 (85% yield) and 267 mg of intermediate 56? (16% yield). Theseintermediates were used as it in the next step.
 

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