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CS-W001157 4
Total: USD 88.00

5-Isopropyl-3-methylisoxazole-4-carboxylic acid

  • CAS No. 90087-36-8

  • Cat. No. CS-W020477
  • Molecule weight169.18
  • Purity≥97%
  • MDL No.None

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

5-Isopropyl-3-methylisoxazole-4-carboxylic acid|CS-W020477

Structure of 90087-36-8

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General Information

  • CAS No. 90087-36-8
  • Cat. No. CS-W020477
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₃
  • Molecular Weight 169.18
  • Synonym(s) None
  • SMILES CC(C)c1onc(C)c1C(O)=O

Synthesis

  • Route1
    • null|null
      79322-87-5
    • ~%
    • 5-Isopropyl-3-methylisoxazole-4-carboxylic acid|CS-W020477
      90087-36-8

    References

    • Takahashi,K.; Miyashita,S. Chemical and Pharmaceutical Bulletin, 1962 , vol. 10, # 7 p. 603 - 607
  • Route2
    • 5-Ethyl-3-methyl-1,2-oxazole-4-carboxylic acid|CS-0237009
      69083-54-1
    • null|null
      74-88-4
    • ~%
    • 5-Isopropyl-3-methylisoxazole-4-carboxylic acid|CS-W020477
      90087-36-8

    References

    • Natale, N. R.; McKenna, John I.; Niou, Chorng-Shyr; Borth, Mark; Hope, Hakon Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5660 - 5666
  • Route3
    • null|null
      91004-89-6
    • ~%
    • 5-Isopropyl-3-methylisoxazole-4-carboxylic acid|CS-W020477
      90087-36-8

    References

    • Takahashi,K.; Miyashita,S. Chemical and Pharmaceutical Bulletin, 1962 , vol. 10, # 7 p. 603 - 607

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   1.80462
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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