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CS-W001157 4
Total: USD 88.00

4-(4-Bromo-2-methylphenyl)-4-oxobutanoic acid

  • CAS No. 898767-28-7

  • Cat. No. CS-0467025
  • Purity≥98%
  • MDL No.MFCD02260874

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

4-(4-Bromo-2-methylphenyl)-4-oxobutanoic acid|CS-0467025

Structure of 898767-28-7

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General Information

  • CAS No. 898767-28-7
  • Cat. No. CS-0467025
  • Purity ≥98%
  • MDL No. MFCD02260874
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁BrO₃
  • Molecular Weight 271.11
  • Synonym(s) 4-(4-BROMO-2-METHYLPHENYL)-4-OXOBUTYRIC ACID
  • SMILES CC1=CC(=CC=C1C(=O)CCC(=O)O)Br

Synthesis

  • Route1

    References

    • Allan, Gillian M.; Vicker, Nigel; Lawrence, Harshani R.; Tutill, Helena J.; Day, Joanna M.; Huchet, Marion; Ferrandis, Eric; Reed, Michael J.; Purohit, Atul; Potter, Barry V.L. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 8 p. 4438 - 4456
  • Route2

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2007/76431 A1, 2007 ; Location in patent: Page/Page column 192 ; WO 2007/076431 A1

Safety Information

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.80502
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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