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Chemical Structure| 13523-62-1 Chemical Structure| 13523-62-1

Structure of 13523-62-1

Chemical Structure| 13523-62-1

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Product Details of [ 13523-62-1 ]

CAS No. :13523-62-1
Formula : C10H14O2
M.W : 166.22
SMILES Code : OC1=CC=C(OC)C(C(C)C)=C1
MDL No. :MFCD03265260

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Application In Synthesis of [ 13523-62-1 ]

* 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 [ 13523-62-1 ]

[ 13523-62-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 31825-29-3 ]
  • [ 13523-62-1 ]
YieldReaction ConditionsOperation in experiment
67%Turnov. To a solution of <strong>[31825-29-3]4-formyl-2-isopropylanisole</strong> (880g, 4.94 mol) in THF (4.56 L) and cyclohexane (3.74 L) at 20oC was added a solution of NAHSO3 (1.31 kg, 12.56 mol) in H20 (4.36 L). After stirring overnight, the crystals were collected by filtration, washed with 3: 1 CYCLOHEXANE/THF prior to drying under vacuum to yield 1.3 kg of bisulfite adduct. To a stirred solution of the dried adduct in 1: 4 H20/MEOH (13 L) containing p-TosOH H2O (908 g, 4.77 mol), 30% H202 (1.625 L, 16.1 mol) was slowly added over 1.75 hr at a rate such that the temperature remained between 0- 5oC. After stirring overnight at 20oC, the reaction was monitored by HPLC. Additional H202 was added if starting material remained. Upon completion, the reaction was cooled to 4oC, whereupon a solution of NA2SO3 (1.86 kg, 10.68 mo) in 6.5 L of H2O was added at a rate such that the temperature did not exceed 34oC. After stirring for LHR, the solids were filtered and washed with EtOAc. The aqueous layer was extracted with EtOAc. The combined EtOAc fractions were washed sequentially with aq. NAHCO3 and brine. Upon concentration, 3-isopropyl-4- methoxyphenol (510g, 67% conversion) was obtained in 93% purity.
  • 2
  • [ 13523-62-1 ]
  • [ 3107-19-5 ]
  • [ 156740-82-8 ]
 

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