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Chemical Structure| 54321-44-7 Chemical Structure| 54321-44-7

Structure of 54321-44-7

Chemical Structure| 54321-44-7

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Product Details of [ 54321-44-7 ]

CAS No. :54321-44-7
Formula : C13H16O
M.W : 188.27
SMILES Code : O=C(C1CCCC1)CC2=CC=CC=C2
MDL No. :MFCD11935141

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Application In Synthesis of [ 54321-44-7 ]

* 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 [ 54321-44-7 ]

[ 54321-44-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 178686-24-3 ]
  • [ 54321-44-7 ]
  • [ 57-13-6 ]
  • [ 1283119-69-6 ]
YieldReaction ConditionsOperation in experiment
2.96% With hydrogenchloride; In ethanol; water; for 13.0h;Reflux; [00330] A mixture of l-cyclopentyl-2-phenylethanone (Intermediate 91) (1.6 mmol,300 mg), <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitrobenzaldehyde</strong> (1.91 mmol, 404 mg), and urea (4.8mmol, 288mg) in anhydrous ethanol (5 mL) was added concentrated HC1 (0.2 mL), the above mixture was refluxed for 13 hours. The reaction mixture was concentrated and the residue was purified by column chromatography, followed by preparative HPLC to afford the product Compound 172 as yellow solid (20 mg, yield: 2.96%). 1H NMR (DMSO 400 MHz): delta 10.23 (s, 1H), 8.25 (s, 1H), 6.98-7.33 (m, 8H), 5.00 (d, J = 2.4 Hz, 1H), 3.94-4.04 (m, 2H), 2.65-2.69 (t, J = 9.2 Hz, 1H), 1.24-1.79 (m, 11H); MS (ESI): m/z 424.1 [M+l]+.
 

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