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CS-W001157 4
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5-Nitrothiophene-2-carboxaldehyde

  • CAS No. 4521-33-9

  • Cat. No. CS-W013285
  • Purity≥98%
  • MDL No.MFCD00005433

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

5-Nitrothiophene-2-carboxaldehyde|CS-W013285

Structure of 4521-33-9

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General Information

  • CAS No. 4521-33-9
  • Cat. No. CS-W013285
  • Purity ≥98%
  • MDL No. MFCD00005433
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃NO₃S
  • Molecular Weight 157.15
  • Synonym(s) LABOTEST-BB LT00112375
  • SMILES O=CC1=CC=C([N+]([O-])=O)S1

Description

Diastereoselectivity in [4+2] cycloaddition of 1-methoxy-2-methyl-3-(trimethylsiloxy)-1,3-pentadiene with 5-nitro-2-thiophenecarboxaldehyde was investigated.5-Nitro-2-thiophenecarboxaldehyde was used in preparation of 2, 3-dihydro-2-(5-nitro-2-thienyl) quinazolin-4-(1H)-ones and various novel oxime ether derivatives, anti-protozoan agents.

Synthesis

  • Route1

    References

    • METHYLGENE INC. Patent: WO2008/104077 A1, 2008 ; Location in patent: Page/Page column 46 ;
  • Route2

    References

    • Wiles, Charlotte; Watts, Paul; Haswell, Stephen J. Tetrahedron Letters, 2006 , vol. 47, # 30 p. 5261 - 5264
  • Route3
    • (Acetyloxy)(thiophen-2-yl)methyl acetate|CS-0259100
      63011-97-2
    • ~%
    • In-stock
      5-Nitrothiophene-2-carboxaldehyde|CS-W013285
      4521-33-9

    References

    • Patrick; Emerson Journal of the American Chemical Society, 1952 , vol. 74, p. 1356

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   1.4688
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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