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CS-W001157 4
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(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid

  • CAS No. 173913-66-1

  • Cat. No. CS-0058363
  • Purity≥98%
  • MDL No.MFCD11109741

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

(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid|CS-0058363

Structure of 173913-66-1

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General Information

  • CAS No. 173913-66-1
  • Cat. No. CS-0058363
  • Purity ≥98%
  • MDL No. MFCD11109741
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₁NO₅
  • Molecular Weight 259.30
  • Synonym(s) (2S,4R)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid
  • SMILES O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@H](O)C1(C)C)O

Synthesis

  • Route1
    • (2s)-1-[(tert-butoxy)carbonyl]-3,3-dimethyl-4-oxopyrrolidine-2-carboxylicacid|CS-0310455
      478700-27-5
    • ~79%
    • (2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid|CS-0058363
      173913-66-1

    References

    • INTERMUNE, INC.; BUCKMAN, Brad; NICHOLAS, John, B.; SEREBRYANY, Vladimir; SEIWERT, Scott, D. Patent: WO2012/40242 A1, 2012 ; Location in patent: Page/Page column 183 ; WO 2012/040242 A1
  • Route2
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • null|null
      173913-64-9
    • ~95%
    • (2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid|CS-0058363
      173913-66-1

    References

    • Sharma, Raman; Lubell, William D. Journal of Organic Chemistry, 1996 , vol. 61, # 1 p. 202 - 209
  • Route3
    • null|null
      173913-63-8
    • ~%
    • (2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid|CS-0058363
      173913-66-1

    References

    • Journal of Organic Chemistry, , vol. 61, # 1 p. 202 - 209

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.07
  • LogP   1.0774
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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