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CS-W001157 4
Total: USD 88.00

4-Isopropoxy-3-methoxybenzoic acid

  • CAS No. 3535-33-9

  • Cat. No. CS-0196003
  • Molecule weight210.23
  • Purity≥98%
  • MDL No.None

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

4-Isopropoxy-3-methoxybenzoic acid|CS-0196003

Structure of 3535-33-9

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General Information

  • CAS No. 3535-33-9
  • Cat. No. CS-0196003
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₄
  • Molecular Weight 210.23
  • Synonym(s) 4-ISOPROPOXY-3-METHOXY-BENZOIC ACID
  • SMILES CC(C)OC1=C(C=C(C=C1)C(=O)O)OC

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; LITTLER, Benjamin, Joseph; KESHAVARZ-SHOKRI, Ali; ZHANG, Beili; HUGHES, Robert, Michael Patent: WO2014/22639 A1, 2014 ; Location in patent: Paragraph 00188-00190 ;
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 77, p. 757
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 19, # 16 p. 4971 - 4984

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   55.76
  • LogP   2.1806
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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