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CS-W001157 4
Total: USD 88.00

1-Isopropyl-3H-1,3-benzodiazol-2-one

  • CAS No. 35681-40-4

  • Cat. No. CS-0212930
  • Purity≥98%
  • MDL No.MFCD01067639

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

1-Isopropyl-3H-1,3-benzodiazol-2-one|CS-0212930

Structure of 35681-40-4

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General Information

  • CAS No. 35681-40-4
  • Cat. No. CS-0212930
  • Purity ≥98%
  • MDL No. MFCD01067639
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O
  • Molecular Weight 176.22
  • Synonym(s) 1-Isopropyl-1H-benzo[d]imidazol-2(3H)-one
  • SMILES CC(C)N1C2=CC=CC=C2N=C1O

Synthesis

  • Route1
    • 1-N-(Propan-2-yl)benzene-1,2-diamine|CS-0208547
      70918-95-5
    • null|null
      530-62-1
    • ~45%
    • 1-Isopropyl-3H-1,3-benzodiazol-2-one|CS-0212930
      35681-40-4

    References

    • Tapia, Ines; Alonso-Cires, Luisa; Lopez-Tudanca, Pedro Luis; Mosquera, Ramon; Labeaga, Luis; Innerarity, Ana; Orjales, Aurelio Journal of Medicinal Chemistry, 1999 , vol. 42, # 15 p. 2870 - 2880
  • Route2

    References

    • Yu, Kuo-Long; Wang, Xiangdong; Sun, Yaxiong; Cianci, Christopher; Thuring, Jan Willem; Combrink, Keith; Meanwell, Nicholas; Zhang, Yi; Civiello, Rita L. Patent: US2003/207868 A1, 2003 ;
  • Route3
    • null|null
      77556-87-7
    • ~93%
    • 1-Isopropyl-3H-1,3-benzodiazol-2-one|CS-0212930
      35681-40-4

    References

    • Vernin, Gaston; Domlog, Hicham; Siv, Chan; Metzger, Jaques; El-Shafei, Ahmed Kamal Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 85 - 89

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   38.05
  • LogP   2.3228
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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