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CS-W001157 4
Total: USD 88.00

benzyl (2-cyanopropan-2-yl)carbamate

  • CAS No. 100134-82-5

  • Cat. No. CS-0034030
  • Molecule weight218.25
  • Purity≥98%
  • MDL No.MFCD10698635

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

benzyl (2-cyanopropan-2-yl)carbamate|CS-0034030

Structure of 100134-82-5

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General Information

  • CAS No. 100134-82-5
  • Cat. No. CS-0034030
  • Purity ≥98%
  • MDL No. MFCD10698635
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O₂
  • Molecular Weight 218.25
  • Synonym(s) Benzyl[1-cyano-1-methylethyl]carbamate
  • SMILES O=C(OCC1=CC=CC=C1)NC(C)(C#N)C

Synthesis

  • Route1
    • null|null
      501-53-1
    • null|null
      19355-69-2
    • ~99%
    • benzyl (2-cyanopropan-2-yl)carbamate|CS-0034030
      100134-82-5

    References

    • Pace, Paola; Di Francesco, M. Emilia; Gardelli, Cristina; Harper, Steven; Muraglia, Ester; Nizi, Emanuela; Orvieto, Federica; Petrocchi, Alessia; Poma, Marco; Rowley, Michael; Scarpelli, Rita; Laufer, Ralph; Paz, Odalys Gonzalez; Monteagudo, Edith; Bonelli, Fabio; Hazuda, Daria; Stillmock, Kara A.; Summa, Vincenzo Journal of Medicinal Chemistry, 2007 , vol. 50, # 9 p. 2225 - 2239
  • Route2
    • Benzyl (1-amino-2-methyl-1-oxopropan-2-yl)carbamate|CS-0466510
      81587-18-0
    • ~96%
    • benzyl (2-cyanopropan-2-yl)carbamate|CS-0034030
      100134-82-5

    References

    • Wang, Ziwen; Wang, Mingxiao; Yao, Xue; Li, Yue; Qiao, Wentao; Geng, Yunqi; Liu, Yuxiu; Wang, Qingmin European Journal of Medicinal Chemistry, 2012 , vol. 50, p. 361 - 369
  • Route3

    References

    • European Journal of Medicinal Chemistry, , vol. 50, p. 361 - 369

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   62.12
  • LogP   2.21498
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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