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CS-W001157 4
Total: USD 88.00

3-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid

  • CAS No. 82278-95-3

  • Cat. No. CS-0590194
  • Purity≥98%
  • MDL No.MFCD06656171

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

3-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid|CS-0590194

Structure of 82278-95-3

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General Information

  • CAS No. 82278-95-3
  • Cat. No. CS-0590194
  • Purity ≥98%
  • MDL No. MFCD06656171
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈BrNO₄
  • Molecular Weight 344.20
  • Synonym(s) 3-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
  • SMILES O=C(O)C(NC(OC(C)(C)C)=O)CC1=CC=CC(Br)=C1

Synthesis

  • Route1

    References

    • Specker, Edgar; Boettcher, Jark; Heine, Andreas; Sotriffer, Christoph A.; Lilie, Hauke; Schoop, Andreas; Mueller, Gerhard; Griebenow, Nils; Klebe, Gerhard Journal of Medicinal Chemistry, 2005 , vol. 48, # 21 p. 6607 - 6619
  • Route2

    References

    • Specker, Edgar; Boettcher, Jark; Heine, Andreas; Sotriffer, Christoph A.; Lilie, Hauke; Schoop, Andreas; Mueller, Gerhard; Griebenow, Nils; Klebe, Gerhard Journal of Medicinal Chemistry, 2005 , vol. 48, # 21 p. 6607 - 6619
  • Route3
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    • 3-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid|CS-0590194
      82278-95-3

    References

    • Specker, Edgar; Boettcher, Jark; Heine, Andreas; Sotriffer, Christoph A.; Lilie, Hauke; Schoop, Andreas; Mueller, Gerhard; Griebenow, Nils; Klebe, Gerhard Journal of Medicinal Chemistry, 2005 , vol. 48, # 21 p. 6607 - 6619

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

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   2.9695
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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