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CS-W001157 4
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tert-Butyl (3-cyanophenyl)carbamate

  • CAS No. 145878-50-8

  • Cat. No. CS-0154413
  • Purity≥98%
  • MDL No.MFCD07787223

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

tert-Butyl (3-cyanophenyl)carbamate|CS-0154413

Structure of 145878-50-8

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General Information

  • CAS No. 145878-50-8
  • Cat. No. CS-0154413
  • Purity ≥98%
  • MDL No. MFCD07787223
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O₂
  • Molecular Weight 218.25
  • Synonym(s) tert-Butyl N-(3-cyanophenyl)carbamate
  • SMILES CC(C)(OC(NC1=CC=CC(C#N)=C1)=O)C

Synthesis

  • Route1
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • null|null
      2237-30-1
    • ~90%
    • In-stock
      tert-Butyl (3-cyanophenyl)carbamate|CS-0154413
      145878-50-8

    References

    • MERCK and CO., INC.; SUNESIS PHARMACEUTICALS, INC. Patent: WO2006/44497 A2, 2006 ; Location in patent: Page/Page column 148 ; WO 2006/044497 A2
  • Route2

    References

    • Merck Sharp and Dohme Ltd. Patent: US5597915 A1, 1997 ; US 5597915 A
  • Route3

    References

    • Shu, Zhibin; Ye, Yuxuan; Deng, Yifan; Zhang, Yan; Wang, Jianbo Angewandte Chemie - International Edition, 2013 , vol. 52, # 40 p. 10573 - 10576 Angew. Chem., 2013 , vol. 125, # 40 p. 10767 - 10770,4

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   62.12
  • LogP   2.90528
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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