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tert-Butyl 5-amino-1H-benzo[d]imidazole-1-carboxylate

  • CAS No. 297756-31-1

  • Cat. No. CS-0160096
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 5-amino-1H-benzo[d]imidazole-1-carboxylate|CS-0160096

Structure of 297756-31-1

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General Information

  • CAS No. 297756-31-1
  • Cat. No. CS-0160096
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N₃O₂
  • Molecular Weight 233.27
  • Synonym(s) 1H-BenziMidazole-1-carboxylic acid, 5-aMino-, 1,1-diMethylethyl ester
  • SMILES O=C(N1C2=CC=C(N)C=C2N=C1)OC(C)(C)C

Synthesis

  • Route1

    References

    • Glaxo Wellcome Inc. Patent: US6350747 B1, 2002 ; Location in patent: Page column 50-51 ;
  • Route2
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    • In-stock
      tert-Butyl 5-amino-1H-benzo[d]imidazole-1-carboxylate|CS-0160096
      297756-31-1
    • In-stock
      tert-Butyl 6-amino-1H-benzo[d]imidazole-1-carboxylate|CS-0311479
      297756-32-2

    References

    • Lee, Jeewoo; Tran, Phuong-Thao; Hoang, Van-Hai; Thorat, Shivaji A.; Kim, Sung Eun; Ann, Jihyae; Chang, Yu Jin; Nam, Dong Woo; Song, Hyundong; Mook-Jung, Inhee; Lee, Jiyoun Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 13 p. 3821 - 3830

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

Quality Control

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Computational Chemistry Data

  • TPSA   70.14
  • LogP   2.4017
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   0

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