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CS-W001157 4
Total: USD 88.00

2-(Isopropylthio)-5-nitrobenzaldehyde

  • CAS No. 900174-36-9

  • Cat. No. CS-0459385
  • Molecule weight225.26
  • Purity≥98%
  • MDL No.None

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

2-(Isopropylthio)-5-nitrobenzaldehyde|CS-0459385

Structure of 900174-36-9

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General Information

  • CAS No. 900174-36-9
  • Cat. No. CS-0459385
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃S
  • Molecular Weight 225.26
  • Synonym(s) Benzaldehyde, 2-[(1-methylethyl)thio]-5-nitro-
  • SMILES O=CC1=CC([N+]([O-])=O)=CC=C1SC(C)C

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2008/79836 A2, 2008 ; Location in patent: Page/Page column 112 ; WO 2008/079836 A2
  • Route2

    References

    • Zhang, Xiaojun; Jiang, Wen; Jacutin-Porte, Swanee; Glunz, Peter W.; Zou, Yan; Cheng, Xuhong; Nirschl, Alexandra H.; Wurtz, Nicholas R.; Luettgen, Joseph M.; Rendina, Alan R.; Luo, Gang; Harper, Timothy M.; Wei, Anzhi; Anumula, Rushith; Cheney, Daniel L.; Knabb, Robert M.; Wong, Pancras C.; Wexler, Ruth R.; Priestley, E. Scott ACS Medicinal Chemistry Letters, 2014 , vol. 5, # 2 p. 188 - 192
  • Route3
    • null|null
      75-33-2
    • ~51%
    • 2-(Isopropylthio)-5-nitrobenzaldehyde|CS-0459385
      900174-36-9

    References

    • Tzur, Eyal; Szadkowska, Anna; Ben-Asuly, Amos; Makal, Anna; Goldberg, Israel; Wozniak, Krzysztof; Grela, Karol; Lemcoff, N. Gabriel Chemistry - A European Journal, 2010 , vol. 16, # 29 p. 8726 - 8737

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   60.21
  • LogP   2.9078
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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