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Chemical Structure| 672-89-9 Chemical Structure| 672-89-9

Structure of 672-89-9

Chemical Structure| 672-89-9

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Product Details of [ 672-89-9 ]

CAS No. :672-89-9
Formula : C7H8O3
M.W : 140.14
SMILES Code : COC1=CC(=O)OC(C)=C1
MDL No. :MFCD00006640
InChI Key :MTZAUZNQAMNFME-UHFFFAOYSA-N
Pubchem ID :12651

Safety of [ 672-89-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 672-89-9 ]

* 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 [ 672-89-9 ]

[ 672-89-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 672-89-9 ]
  • [ 922-67-8 ]
  • [ 35598-05-1 ]
  • [ 108593-44-8 ]
  • 2
  • [ 672-89-9 ]
  • [ 28785-06-0 ]
  • 4-methoxy-6-[(E)-2-(4-propylphenyl)vinyl]-2H-pyran-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
23% With magnesium methanolate; In methanol; at 60℃; General procedure: The synthesis of 5,6-dehydrokawain analogues were performed based on the method reported by McCracken, S. T. et al.2 Magnesium methoxide was prepared by gently heating Mg (156 mg) in anhydrous MeOH. 4-Methoxy-6-methyl-2-pyrone (3)3 (0.30 g, 2.1 mmol) or other 2-pyrones and each aldehyde (2.2 mmol) were added to the solution. The reaction mixture was heated at reflux for 3-6 hours, cooled, and dried in vacuo. The residual material was then suspended in acetic acid (3.3 M, 30 mL) and extracted with ethyl acetate for three times. The combined organic layer was washed with water and dried in vacuo. Purification of the compounds was conducted by preparative HPLC. NMR spectra were recorded on a JEOL JNM-ECZ400S in CDCl3. HRMS was recorded on a Thermo scientific Q Exactive? instrument. Mp were recorded on a Yanagimoto micro melting point apparatus. The 1H and 13C NMR data observed for 11,4, 33, 73, 83, 105, 222, 256, 266 were agreed with those previously reported in the literature. The 1H NMR data of 247 and 278 were in agreement with literature values.
With magnesium; In methanol; at 60℃; for 5h; Metal Mg was heated in methanol (60 ° C.) and suspended. 4-methoxy-6-methyl-2-pyrone (0.30 g) and <strong>[28785-06-0]4-propylbenzaldehyde</strong> (0.32 ml, 2.2 mmol) were added thereto, and the mixture was heated at 60 ° C. for 5 hours. After cooling, it was acidified with acetic acid and extracted with ethyl acetate. The extract was concentrated under reduced pressure and then purified by reverse phase preparative HPLC (mobile phase: water-acetonitrile = 3: 7).
 

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