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CS-W001157 4
Total: USD 88.00

[5-(4-Methylphenyl)isoxazol-3-yl]methanol

  • CAS No. 640291-93-6

  • Cat. No. CS-0071509
  • Purity≥97%
  • MDL No.MFCD06199339

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

[5-(4-Methylphenyl)isoxazol-3-yl]methanol|CS-0071509

Structure of 640291-93-6

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General Information

  • CAS No. 640291-93-6
  • Cat. No. CS-0071509
  • Purity ≥97%
  • MDL No. MFCD06199339
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) (5-P-TOLYLISOXAZOL-3-YL)METHANOL
  • SMILES OCC1=NOC(C2=CC=C(C)C=C2)=C1

Synthesis

  • Route1
    • Ethyl 5-(p-tolyl)isoxazole-3-carboxylate|CS-0579437
      88958-15-0
    • ~%
    • [5-(4-Methylphenyl)isoxazol-3-yl]methanol|CS-0071509
      640291-93-6

    References

    • Synthesis, , # 15 p. 2325 - 2330
  • Route2
    • Ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate|CS-0122057
      5814-37-9
    • ~%
    • [5-(4-Methylphenyl)isoxazol-3-yl]methanol|CS-0071509
      640291-93-6

    References

    • Synthesis, , # 15 p. 2325 - 2330
  • Route3
    • 5-(P-tolyl)isoxazole-3-carbaldehyde|CS-0313942
      640292-02-0
    • ~73%
    • [5-(4-Methylphenyl)isoxazol-3-yl]methanol|CS-0071509
      640291-93-6

    References

    • Potkin; Petkevich; Kletskov; Dikusar; Zubenko; Zhukovskaya; Kazbanov; Pashkevich Russian Journal of Organic Chemistry, 2013 , vol. 49, # 10 p. 1523 - 1533 Zh. Org. Khim., 2013 , vol. 49, # 10 p. 1543 - 1553,11

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.26
  • LogP   2.14232
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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