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Chemical Structure| 95741-45-0 Chemical Structure| 95741-45-0

Structure of 95741-45-0

Chemical Structure| 95741-45-0

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Product Details of [ 95741-45-0 ]

CAS No. :95741-45-0
Formula : C16H16O3
M.W : 256.30
SMILES Code : O=C(O)C1=C(C)C=C(OCC2=CC=CC=C2)C=C1C

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Application In Synthesis of [ 95741-45-0 ]

* 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 [ 95741-45-0 ]

[ 95741-45-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 95741-45-0 ]
  • [ 75056-97-2 ]
YieldReaction ConditionsOperation in experiment
40% With water; hydrogen bromide; acetic acid; at 20.0℃; for 1.0h; Compound 11 (180 mg, 1.08 mmol) was dissolved in HBr (33 wt% in AcOH, 3.5 mL) and left to react at r.t. for 1 h. H2O was added and the aqueous phase was extracted with EtOAc (3 × 10 mL). The combined organic phases were washed with brine, dried (anhyd MgSO4), and evaporated in vacuo. The residue was chromatographed (using gradient of 25% of PE in EtOAc until 100% EtOAc to yield 70 mg (40%) of 12; white solid; mp 168-170 C; Rf = 0.41 (silica gel, EtOAc/PE = 1:2). 1H NMR (500 MHz, CD3OD): delta = 6.45 (s, 2 H, HAr), 2.28 (s, 6 H, CH3). 13C NMR (125 MHz, CD3OD): delta = 174.1, 159.2, 138.2, 127.2, 115.4, 20.3. HRMS (ESI-): m/z [M - H]- calcd for C9H9O3: 165.0546; found: 165.0559.
 

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