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CS-W001157 4
Total: USD 88.00

(2-Bromo-pyridin-3-yl)-carbamic acidtert-butyl ester

  • CAS No. 116026-98-3

  • Cat. No. CS-W003369
  • Purity≥98%
  • MDL No.MFCD07367911

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

(2-Bromo-pyridin-3-yl)-carbamic acidtert-butyl ester|CS-W003369

Structure of 116026-98-3

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General Information

  • CAS No. 116026-98-3
  • Cat. No. CS-W003369
  • Purity ≥98%
  • MDL No. MFCD07367911
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃BrN₂O₂
  • Molecular Weight 273.13
  • Synonym(s) Tert-Butyl 2-Bromopyridin-3-Ylcarbamate
  • SMILES O=C(OC(C)(C)C)NC1=CC=CN=C1Br

Synthesis

  • Route1

    References

    • Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K. Journal of Medicinal Chemistry, 2009 , vol. 52, # 16 p. 5032 - 5043
  • Route2
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      2-Bromonicotinic acid|CS-D0803
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    • null|null
      75-65-0
    • ~96%
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      (2-Bromo-pyridin-3-yl)-carbamic acidtert-butyl ester|CS-W003369
      116026-98-3

    References

    • PFIZER PRODUCTS INC. Patent: WO2004/110996 A1, 2004 ; Location in patent: Page/Page column 28 ; WO 2004/110996 A1
  • Route3
    • null|null
      462-08-8
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      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • ~%
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      (2-Bromo-pyridin-3-yl)-carbamic acidtert-butyl ester|CS-W003369
      116026-98-3

    References

    • EP1300464 A1, ;

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   51.22
  • LogP   3.1911
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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