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CS-W001157 4
Total: USD 88.00

(R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid

  • CAS No. 82317-83-7

  • Cat. No. CS-W009849
  • Purity≥98%
  • MDL No.MFCD00797557

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

(R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid|CS-W009849

Structure of 82317-83-7

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General Information

  • CAS No. 82317-83-7
  • Cat. No. CS-W009849
  • Purity ≥98%
  • MDL No. MFCD00797557
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₈F₃NO₄
  • Molecular Weight 333.30
  • Synonym(s) Boc-D-4-Trifluoromethylphenylalanine
  • SMILES O=C(O)[C@@H](CC1=CC=C(C(F)(F)F)C=C1)NC(OC(C)(C)C)=O

Synthesis

  • Route1
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • null|null
      1082750-11-5
    • ~79%
    • In-stock
      (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid|CS-W009849
      82317-83-7

    References

    • REMPEX PHARMACEUTICALS, INC.; GLINKA, Tomasz; HIGUCHI, Robert; HECKER, Scott; EASTMAN, Brian; RODNY, Olga Patent: WO2012/109164 A1, 2012 ; Location in patent: Page/Page column 53-54 ; WO 2012/109164 A1
  • Route2
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • null|null
      3832-77-7
    • ~85%
    • In-stock
      (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid|CS-W009849
      82317-83-7

    References

    • Nestor Jr.; Ho; Simpson; Horner; Jones; McRae; Vickery Journal of Medicinal Chemistry, 1982 , vol. 25, # 7 p. 795 - 801
  • Route3
    • null|null
      176795-01-0
    • ~%
    • In-stock
      (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid|CS-W009849
      82317-83-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 19 p. 5607 - 5612

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   3.2258
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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