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CS-W001157 4
Total: USD 88.00

5-Methyl-1H-benzo[d]imidazol-2(3H)-one

  • CAS No. 5400-75-9

  • Cat. No. CS-0045386
  • Purity≥98%
  • MDL No.MFCD00754728

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

5-Methyl-1H-benzo[d]imidazol-2(3H)-one|CS-0045386

Structure of 5400-75-9

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General Information

  • CAS No. 5400-75-9
  • Cat. No. CS-0045386
  • Purity ≥98%
  • MDL No. MFCD00754728
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O
  • Molecular Weight 148.16
  • Synonym(s) 5-Methyl-1,3-dihydro-2H-benzimidazol-2-one
  • SMILES O=C1NC2=CC=C(C)C=C2N1

Synthesis

  • Route1
    • In-stock
      3,4-Diaminotoluene|CS-W013550
      496-72-0
    • null|null
      530-62-1
    • ~81%
    • In-stock
      5-Methyl-1H-benzo[d]imidazol-2(3H)-one|CS-0045386
      5400-75-9

    References

    • Takeda Pharmaceutical Company Limited Patent: US8138168 B1, 2012 ; Location in patent: Page/Page column 477-478 ; US 8138168 B1
  • Route2
    • null|null
      124-38-9
    • In-stock
      3,4-Diaminotoluene|CS-W013550
      496-72-0
    • ~97%
    • In-stock
      5-Methyl-1H-benzo[d]imidazol-2(3H)-one|CS-0045386
      5400-75-9

    References

    • Kimura, Toshihiro; Kamata, Keigo; Mizuno, Noritaka Angewandte Chemie - International Edition, 2012 , vol. 51, # 27 p. 6700 - 6703
  • Route3
    • null|null
      201230-82-2
    • null|null
      89-62-3
    • ~67%
    • In-stock
      5-Methyl-1H-benzo[d]imidazol-2(3H)-one|CS-0045386
      5400-75-9

    References

    • Wang, Xiaofang; Ling, Gang; Xue, Yan; Lu, Shiwei European Journal of Organic Chemistry, 2005 , # 8 p. 1675 - 1679

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-P301+P310-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   48.65
  • LogP   1.16462
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   0

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