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Chemical Structure| 89794-52-5 Chemical Structure| 89794-52-5

Structure of 89794-52-5

Chemical Structure| 89794-52-5

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Product Details of [ 89794-52-5 ]

CAS No. :89794-52-5
Formula : C7H14O2
M.W : 130.18
SMILES Code : OC1(C)CCC(O)CC1
MDL No. :MFCD26403404

Safety of [ 89794-52-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-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 [ 89794-52-5 ]

* 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 [ 89794-52-5 ]

[ 89794-52-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 89794-52-5 ]
  • [ 17429-02-6 ]
  • 2
  • [ 17429-02-6 ]
  • [ 89794-52-5 ]
YieldReaction ConditionsOperation in experiment
With methanol; sodium tetrahydroborate; at 20℃; To a cooled (0 C.) solution of <strong>[17429-02-6]4-hydroxy-4-methylcyclohexanone</strong> (1 equiv) in MeOH (0.5 M) was added sodium borohydride (2 equiv). The resulting mixture was stirred at room temperature overnight. After the reaction was complete, the resulting mixture was quenched with water and extracted with ethyl acetate. The organic layers were combined, washed with brine (20 mL), dried over sodium sulfate, filtered and concentrated. The crude product was purified by silica gel flash column chromatography (0-10% DCM in MeOH) to afford the title compound as a white solid (87% yield, cis/trans mixture). 1H NMR (300 MHz, DMSO-d6) delta ppm 4.34-4.32 (d, J=4.5 Hz, 1H), 4.29-4.27 (d, J=3.6 Hz, 0.45H), 4.12-4.06 (m, 0.47H), 4.00 (s, 0.39H), 3.97 (s, 1H), 3.82 (s, 0.48H), 3.55-3.50 (m, 0.47H), 3.20-3.17 (d, J=7.5 Hz, 1H), 1.76-1.62 (m, 1H), 1.60-1.40 (m, 8H), 1.35-1.20 (m, 4H), 1.07 (s, 1.5H), 1.05 (s, 3H).
 

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