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Chemical Structure| 54502-37-3 Chemical Structure| 54502-37-3

Structure of 54502-37-3

Chemical Structure| 54502-37-3

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Product Details of [ 54502-37-3 ]

CAS No. :54502-37-3
Formula : C12H22O3
M.W : 214.30
SMILES Code : CCC(CC)C(OC(C(CC)CC)=O)=O
MDL No. :MFCD00042894
Boiling Point : No data available
InChI Key :YCURDTPXHPXCKH-UHFFFAOYSA-N
Pubchem ID :96332

Safety of [ 54502-37-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 54502-37-3 ]

* 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 [ 54502-37-3 ]

[ 54502-37-3 ] Synthesis Path-Downstream   1~1

  • 1
  • (4R,6R)-6-{2[(1S,2S,6S,8S,8AR)-1,2,6,7,8,8a-hexahydro-6-t-butyldimethylsilyloxy-8-hydroxy-2-methyl-1-naphthyl]ethyl}-tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one [ No CAS ]
  • [ 54502-37-3 ]
  • [ 2456-81-7 ]
  • (4R,6R)-6-{2-[(1S,2S,6S,8S,8AR)-1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-(2-ethylbutyryloxy)-2-methyl-1-naphthyl]ethyl)tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
88% With sodium chloride; sodium hydrogencarbonate; triethylamine; citric acid; In dichloromethane; water; ethyl acetate; EXAMPLE 2 (4R,6R)-6-{2-[(1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-(2-ethylbutyryloxy)-2-methyl-1-naphthyl]ethyl)tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one STR24 1.26 ml (9.1 mmol) of triethylamine, 15 mg (0.1 mmol) of 4-(1-pyrrolidinyl)pyridine and 0.63 ml (2.73 mmol) of 2-ethylbutyric anhydride were added to a solution of 1.00 g (1.8 mmol) of (4R,6R)-6-{2[(1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-hexahydro-6-t-butyldimethylsilyloxy-8-hydroxy-2-methyl-1-naphthyl]ethyl}-tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one [prepared as described in Example B, above] in 10 ml of methylene chloride, whilst ice-cooling. The resulting mixture was stirred at room temperature for 3 days. At the end of this time, the reaction mixture was diluted with 50 ml of ethyl acetate and the diluted mixture was then washed with 20 ml of water, a 10percent w/v aqueous solution of citric acid, 20 ml of a saturated aqueous solution of sodium hydrogencarbonate and 20 ml of a saturated aqueous solution of sodium chloride, in that order. The washed mixture was then dried over anhydrous magnesium sulfate, after which the mixture was filtered. The filtrate thus obtained was concentrated by evaporation under reduced pressure, and the resulting concentrate was purified by flash column chromatography through silica gel, using a 5:1 by volume mixture of hexane and ethyl acetate as the eluent, to give 1.04 g (88percent yield) of the title compound. Nuclear Magnetic Resonance Spectrum (270 MHz, CDCl3) deltappm: 4.24-4.32 (1H, multiplet); 4.37-4.49 (1H, multiplet); 4.51-4.62 (1H, multiplet); 5.42 (1H, broad singlet); 5.47 (1H, broad singlet); 5.84 (1H, doublet of doublets, 5.98 (1H, doublet, J=9.8 Hz). Infrared Absorption Spectrum (CHCl3) numax cm-1: 2950, 1720, 1250, 1080, 840. Mass Spectrum (m/e): 648 (M+), 633, 591, 532, 475.
 

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