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CS-W001157 4
Total: USD 88.00

tert-Butyl (cyanomethyl)(methyl)carbamate

  • CAS No. 180976-09-4

  • Cat. No. CS-0154819
  • Purity≥97%
  • MDL No.MFCD06658361

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

tert-Butyl (cyanomethyl)(methyl)carbamate|CS-0154819

Structure of 180976-09-4

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General Information

  • CAS No. 180976-09-4
  • Cat. No. CS-0154819
  • Purity ≥97%
  • MDL No. MFCD06658361
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄N₂O₂
  • Molecular Weight 170.21
  • Synonym(s) N-(cyanomethyl)-N-methylcarbamic acid tert-butyl ester
  • SMILES CC(C)(C)OC(=O)N(C)CC#N

Synthesis

  • Route1
    • tert-Butyl (2-amino-2-oxoethyl)(methyl)carbamate|CS-0873637
      94849-39-5
    • ~97%
    • In-stock
      tert-Butyl (cyanomethyl)(methyl)carbamate|CS-0154819
      180976-09-4

    References

    • Kruijtzer, John A. W.; Lefeber, Dirk J.; Liskamp, Rob M. J. Tetrahedron Letters, 1997 , vol. 38, # 30 p. 5335 - 5338
  • Route2

    References

    • Eisenbrand; Lauck-Birkel; Tang Synthesis, 1996 , # 10 p. 1246 - 1258
  • Route3

    References

    • Eisenbrand; Lauck-Birkel; Tang Synthesis, 1996 , # 10 p. 1246 - 1258

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

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   1.37688
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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