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CS-W001157 4
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Tert-butyl (3-nitropyridin-4(1h)-ylidene)carbamate

  • CAS No. 623562-22-1

  • Cat. No. CS-0272786
  • Purity≥97%
  • MDL No.None

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

Tert-butyl (3-nitropyridin-4(1h)-ylidene)carbamate|CS-0272786

Structure of 623562-22-1

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General Information

  • CAS No. 623562-22-1
  • Cat. No. CS-0272786
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃N₃O₄
  • Molecular Weight 239.23
  • Synonym(s) tert-Butyl (3-nitropyridin-4-yl)carbamate
  • SMILES CC(C)(C)OC(=O)N=C1C=CNC=C1[N+](=O)[O-]

Synthesis

  • Route1

    References

    • H. LUNDBECK A/S; JØRGENSEN, Morten; BRUUN, Anne Techau; RASMUSSEN, Lars Kyhn Patent: WO2013/34761 A1, 2013 ; Location in patent: Page/Page column 17; 18 ;
  • Route2

    References

    • Bakke, Jan M.; Gautun, Hanna S. H.; Svensen, Harald Journal of Heterocyclic Chemistry, 2003 , vol. 40, # 4 p. 585 - 591

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   97.59
  • LogP   1.7587
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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