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CS-W001157 4
Total: USD 88.00

tert-Butyl n-[cyano(phenyl)methyl]carbamate

  • CAS No. 78558-73-3

  • Cat. No. CS-0127216
  • Molecule weight232.28
  • Purity≥98%
  • MDL No.MFCD02327076

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

tert-Butyl n-[cyano(phenyl)methyl]carbamate|CS-0127216

Structure of 78558-73-3

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General Information

  • CAS No. 78558-73-3
  • Cat. No. CS-0127216
  • Purity ≥98%
  • MDL No. MFCD02327076
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂O₂
  • Molecular Weight 232.28
  • Synonym(s) 2-(tert-butoxycarbonylamino)-2-phenylacetonitrile
  • SMILES O=C(OC(C)(C)C)NC(C#N)C1=CC=CC=C1

Synthesis

  • Route1

    References

    • Abell, Joshua P.; Yamamoto, Hisashi Journal of the American Chemical Society, 2009 , vol. 131, # 42 p. 15118 - 15119
  • Route2
    • null|null
      7677-24-9
    • null|null
      177896-09-2
    • ~89%
    • tert-Butyl n-[cyano(phenyl)methyl]carbamate|CS-0127216
      78558-73-3

    References

    • Kantam, M. Lakshmi; Mahendar, Koosam; Sreedhar, Bojja; Choudary Tetrahedron, 2008 , vol. 64, # 15 p. 3351 - 3360
  • Route3
    • null|null
      437768-38-2
    • ~98%
    • tert-Butyl n-[cyano(phenyl)methyl]carbamate|CS-0127216
      78558-73-3

    References

    • Yan, Shunqi; Larson, Gary; Wu, Jim Z.; Appleby, Todd; Ding, Yili; Hamatake, Robert; Hong, Zhi; Yao, Nanhua Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 1 p. 63 - 67

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   2.77598
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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