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CS-W001157 4
Total: USD 88.00

Benzyl L-isoleucinate 4-methylbenzenesulfonate

  • CAS No. 16652-75-8

  • Cat. No. CS-0129849
  • Purity≥95%
  • MDL No.MFCD00050511

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

Benzyl L-isoleucinate 4-methylbenzenesulfonate|CS-0129849

Structure of 16652-75-8

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General Information

  • CAS No. 16652-75-8
  • Cat. No. CS-0129849
  • Purity ≥95%
  • MDL No. MFCD00050511
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₇NO₅S
  • Molecular Weight 393.50
  • Synonym(s) O-Benzyl-L-isoleucine toluene-p-sulphonate
  • SMILES O=S(C1=CC=C(C)C=C1)(O)=O.CC[C@H](C)[C@H](N)C(OCC2=CC=CC=C2)=O

Synthesis

  • Route1
    • L-Isoleucine, 99%|CS-1269087
      73-32-5
    • null|null
      104-15-4
    • In-stock
      Benzyl alcohol|CS-4355
      100-51-6
    • ~73%
    • In-stock
      Benzyl L-isoleucinate 4-methylbenzenesulfonate|CS-0129849
      16652-75-8

    References

    • Damm, Wolfgang; Hoffmann, Ursula; Macko, Ludwig; Neuburger, Markus; Zehnder, Margareta; Giese, Bernd Tetrahedron, 1994 , vol. 50, # 24 p. 7029 - 7048
  • Route2
    • Benzyl L-isoleucinate|CS-0637882
      42406-72-4
    • null|null
      104-15-4
    • ~%
    • In-stock
      Benzyl L-isoleucinate 4-methylbenzenesulfonate|CS-0129849
      16652-75-8

    References

    • Letters in Organic Chemistry, , vol. 7, # 1 p. 39 - 44

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   106.69
  • LogP   3.34492
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   6

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