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CS-W001157 4
Total: USD 88.00

4-(Tert-butyl)-2,6-dimethylbenzoic acid

  • CAS No. 58537-98-7

  • Cat. No. CS-0574749
  • Molecule weight206.28
  • Purity≥98%
  • MDL No.None

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

4-(Tert-butyl)-2,6-dimethylbenzoic acid|CS-0574749

Structure of 58537-98-7

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General Information

  • CAS No. 58537-98-7
  • Cat. No. CS-0574749
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₂
  • Molecular Weight 206.28
  • Synonym(s) 4-Tert-butyl-2,6-dimethylbenzoic acid
  • SMILES CC1=CC(=CC(=C1C(=O)O)C)C(C)(C)C

Synthesis

  • Route1

    References

    • Pfizer Inc. Patent: US4777270 A1, 1988 ;
  • Route2
    • null|null
      85151-95-7
    • ~62%
    • 4-(Tert-butyl)-2,6-dimethylbenzoic acid|CS-0574749
      58537-98-7

    References

    • Tashiro, Masashi; Yamato, Takehiko Journal of Organic Chemistry, 1983 , vol. 48, # 9 p. 1461 - 1468
  • Route3

    References

    • Weber, Edwin; Haase, Reinhard; Pollex, Rolf; Czugler, Matyas Advanced Synthesis and Catalysis, 1999 , vol. 341, # 3 p. 274 - 283

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.29914
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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