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CS-W001157 4
Total: USD 88.00

Methyl coumalate

  • CAS No. 6018-41-3

  • Cat. No. CS-W008753
  • Purity≥98%
  • MDL No.MFCD00010120

*For research and further manufacturing use only, not for direct human use.

Methyl coumalate|CS-W008753

Structure of 6018-41-3

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General Information

  • CAS No. 6018-41-3
  • Cat. No. CS-W008753
  • Purity ≥98%
  • MDL No. MFCD00010120
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆O₄
  • Molecular Weight 154.12
  • Synonym(s) Methyl 2-Pyrone-5-carboxylate
  • SMILES O=C(OC)C(C=C1)=COC1=O

Description

Methyl coumalate is a 2-pyrone and acts as dienophile in Diels-Alder reaction. It reacts with 1,3-butadienes at 100C to yield tetrahydrocoumarins and 4-methoxycarbonyltricyclo[3.2.1.02,7]octenes. It also reacts with cyclohexadiene to afford tetrahydronaphthalene-2-carboxylate. It undergoes Diels-Alder reaction with unactivated alkenes to afford para-substituted adducts.Methyl coumalate has been used as reagent in phosphine-catalyzed [4+3] annulation of modified allylic carbonates. It was also used in the preparation of 7-carboxyquinolizinium derivatives.

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Computational Chemistry Data

  • TPSA   56.51
  • LogP   0.4264
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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