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Tert-butyl 4-formyl-1h-imidazole-1-carboxylate

  • CAS No. 89525-40-6

  • Cat. No. CS-0243708
  • Molecule weight196.20
  • Purity95+%
  • MDL No.None

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

Tert-butyl 4-formyl-1h-imidazole-1-carboxylate|CS-0243708

Structure of 89525-40-6

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General Information

  • CAS No. 89525-40-6
  • Cat. No. CS-0243708
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₃
  • Molecular Weight 196.20
  • Synonym(s) TERT-BUTYL4-FORMYL-1H-IMIDAZOLE-1-CARBOXYLATE
  • SMILES O=C(N1C=C(C=O)N=C1)OC(C)(C)C

Synthesis

  • Route1

    References

    • Schering Aktiengesellschaft Patent: US2005/90541 A1, 2005 ; Location in patent: Page/Page column 31-32 ;
  • Route2
    • tert-Butyl 4-(hydroxymethyl)-1H-imidazole-1-carboxylate|CS-0106364
      120277-50-1
    • ~%
    • Tert-butyl 4-formyl-1h-imidazole-1-carboxylate|CS-0243708
      89525-40-6

    References

    • Kimura, Rumi; Nagano, Tanemasa; Kinoshita, Hideki Bulletin of the Chemical Society of Japan, 2002 , vol. 75, # 11 p. 2517 - 2525
  • Route3

    References

    • Bristol-Myers Squibb Company Patent: US6011029 A1, 2000 ;

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.19
  • LogP   1.4788
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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