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(3-Iodo-benzyl)-carbamic acid tert-butyl ester

  • CAS No. 263351-43-5

  • Cat. No. CS-0341298
  • Purity≥97%
  • MDL No.None

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

(3-Iodo-benzyl)-carbamic acid tert-butyl ester|CS-0341298

Structure of 263351-43-5

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General Information

  • CAS No. 263351-43-5
  • Cat. No. CS-0341298
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆INO₂
  • Molecular Weight 333.17
  • Synonym(s) tert-Butyl 3-iodobenzylcarbamate
  • SMILES CC(C)(OC(NCC1=CC(I)=CC=C1)=O)C

Synthesis

  • Route1

    References

    • PFIZER LIMITED; PFIZER INC. Patent: WO2005/92840 A1, 2005 ; Location in patent: Page/Page column 73 ; WO 2005/092840 A1
  • Route2

    References

    • Bavetsias, Vassilios; Faisal, Amir; Crumpler, Simon; Brown, Nathan; Kosmopoulou, Magda; Joshi, Amar; Atrash, Butrus; Perez-Fuertes, Yolanda; Schmitt, Jessica A.; Boxall, Katherine J.; Burke, Rosemary; Sun, Chongbo; Avery, Sian; Bush, Katherine; Henley, Alan; Raynaud, Florence I.; Workman, Paul; Bayliss, Richard; Linardopoulos, Spiros; Blagg, Julian Journal of Medicinal Chemistry, 2013 , vol. 56, # 22 p. 9122 - 9135
  • Route3
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      1228693-09-1
    • ~%
    • In-stock
      (3-Iodo-benzyl)-carbamic acid tert-butyl ester|CS-0341298
      263351-43-5

    References

    • Nielsen, Simon D.; Smith, Garrick; Begtrup, Mikael; Kristensen, Jesper L. Chemistry - A European Journal, 2010 , vol. 16, # 15 p. 4557 - 4566

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   3.3159
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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