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CS-W001157 4
Total: USD 88.00

1-Methoxy-4-(2-nitroethyl)benzene

  • CAS No. 31236-71-2

  • Cat. No. CS-0582079
  • Molecule weight181.19
  • Purity≥98%
  • MDL No.MFCD03410707

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

1-Methoxy-4-(2-nitroethyl)benzene|CS-0582079

Structure of 31236-71-2

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General Information

  • CAS No. 31236-71-2
  • Cat. No. CS-0582079
  • Purity ≥98%
  • MDL No. MFCD03410707
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) lysichitalexin
  • SMILES COC1=CC=C(C=C1)CC[N+](=O)[O-]

Synthesis

  • Route1
    • 1-Methoxy-4-(2-nitrovinyl)benzene|CS-1347609
      3179-10-0
    • ~97%
    • 1-Methoxy-4-(2-nitroethyl)benzene|CS-0582079
      31236-71-2

    References

    • Che, Jun; Lam, Yulin Advanced Synthesis and Catalysis, 2010 , vol. 352, # 10 p. 1752 - 1758
  • Route2
    • 1-Methoxy-4-(2-nitrovinyl)benzene|CS-1347609
      3179-10-0
    • null|null
      95-54-5
    • ~93%
    • 1-Methoxy-4-(2-nitroethyl)benzene|CS-0582079
      31236-71-2

    References

    • G.D. Searle and Co. Patent: US6011028 A1, 2000 ;
  • Route3
    • null|null
      38316-05-1
    • ~92%
    • 1-Methoxy-4-(2-nitroethyl)benzene|CS-0582079
      31236-71-2

    References

    • Luzzio, Frederick A.; Wlodarczyk, Marek T.; Duveau, Damien Y.; Chen, Juan Tetrahedron Letters, 2007 , vol. 48, # 38 p. 6704 - 6708

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   1.5144
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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