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CS-W001157 4
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Methyl 3,5-di-tert-butyl-4-methoxybenzoate

  • CAS No. 115126-97-1

  • Cat. No. CS-0533707
  • Molecule weight278.39
  • Purity≥98%
  • MDL No.None

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

Methyl 3,5-di-tert-butyl-4-methoxybenzoate|CS-0533707

Structure of 115126-97-1

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General Information

  • CAS No. 115126-97-1
  • Cat. No. CS-0533707
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₆O₃
  • Molecular Weight 278.39
  • Synonym(s) Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-methoxy-, methyl ester
  • SMILES COC(C1=CC(C(C)(C)C)=C(C(C(C)(C)C)=C1)OC)=O

Synthesis

  • Route1

    References

    • Snutch, Terrance P.; Zamponi, Gerald W.; Pajouhesh, Hassan; Belardetti, Francesco; Pajouhesh, Hossein Patent: US2004/266784 A1, 2004 ; US 20040266784 A1
  • Route2

    References

    • Galemmo, JR., Robert; Holland, Richard; Hum, Gabriel; Pajouhesh, Hossein; Chahal, Navjot; Seid-Bagherzadeh, Mehran; Girard, Amy Patent: US2009/270394 A1, 2009 ; Location in patent: Page/Page column 9 ; US 20090270394 A1
  • Route3
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      115126-96-0
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    • Methyl 3,5-di-tert-butyl-4-methoxybenzoate|CS-0533707
      115126-97-1

    References

    • Pastor, Stephen D.; Hessell, Edward T. Journal of Organometallic Chemistry, 1987 , vol. 328, p. 263 - 274

Safety Information

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

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   4.0768
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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