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Chemical Structure| 1245708-07-9 Chemical Structure| 1245708-07-9

Structure of 1245708-07-9

Chemical Structure| 1245708-07-9

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Product Details of [ 1245708-07-9 ]

CAS No. :1245708-07-9
Formula : C15H20O3
M.W : 248.32
SMILES Code : O=C(OC)C[C@H]1CC[C@@H](C2=CC=C(O)C=C2)CC1
English Name :Methyl 2-((1S,4S)-4-(4-hydroxyphenyl)cyclohexyl)acetate
MDL No. :MFCD22665869

Safety of [ 1245708-07-9 ]

Application In Synthesis of [ 1245708-07-9 ]

* 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 [ 1245708-07-9 ]

[ 1245708-07-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 358-23-6 ]
  • [ 1245708-07-9 ]
  • [ 701232-68-0 ]
  • [ 1414867-55-2 ]
YieldReaction ConditionsOperation in experiment
33.333 % de Stage #1: trifluoromethylsulfonic anhydride; methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate In dichloromethane at 0℃; for 0.333333h; Stage #2: With triethylamine In dichloromethane at 0 - 20℃; for 17.83h; Methyl 2-(4-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)cyclohexyl)acetate: To a 0°C solution of (czs)-methyl 2-4-(4-hydroxyphenyl)cyclohexyl)acetate (1.5 g, 6.04 mmol) in dichloromethane (30 mL) was added triflic anhydride (1.22 mL, 7.25 mmol). The mixture was stirred at 0 °C for 20 min before triethylamine (2.1 mL, 15.1 mmol) was added dropwise over 20 min. During this time, the color of the mixture turned red and then black. The mixture was held at 0 °C for 90 min and then warmed to rt and stirred at rt for 16 h. The mixture was carefully quenched with the addition of water (20 mL). The mixture was then extracted with dichloromethane (3x 20 mL) and the combined organics were washed successively with saturated aqueous bicarbonate (20 mL) and brine (20 mL) before drying over sodium sulfate and concentration under reduced pressure. The crude residue was purified by silica chromatography (0 to 50 % EtOAc in hexanes) to give the product as a yellow oil as a 2: 1 mixture of cis:trans diastereomers.
 

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