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CS-W001157 4
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2-((tert-Butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid

  • CAS No. 1240361-06-1

  • Cat. No. CS-0154437
  • Molecule weight297.37
  • Purity≥97%
  • MDL No.MFCD19441940

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

2-((tert-Butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|CS-0154437

Structure of 1240361-06-1

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General Information

  • CAS No. 1240361-06-1
  • Cat. No. CS-0154437
  • Purity ≥97%
  • MDL No. MFCD19441940
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₄S
  • Molecular Weight 297.37
  • Synonym(s) 2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
  • SMILES CC(C)(OC(NC1=C(C(O)=O)C2=C(S1)CCCC2)=O)C

Synthesis

  • Route1
    • Methyl 2-((tert-butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|CS-0733387
      1313712-54-7
    • ~%
    • 2-((tert-Butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|CS-0154437
      1240361-06-1

    References

    • Chemical Biology and Drug Design, , vol. 76, # 2 p. 116 - 129
  • Route2

    References

    • Chemical Biology and Drug Design, , vol. 76, # 2 p. 116 - 129
  • Route3
    • null|null
      108-94-1
    • ~%
    • 2-((tert-Butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|CS-0154437
      1240361-06-1

    References

    • Chemical Biology and Drug Design, , vol. 76, # 2 p. 116 - 129

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   3.6721
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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