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CS-W001157 4
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Methyl 3-amino-6-nitrobenzo[b]thiophene-2-carboxylate

  • CAS No. 35212-90-9

  • Cat. No. CS-0148779
  • Purity95+%
  • MDL No.MFCD02647200

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

Methyl 3-amino-6-nitrobenzo[b]thiophene-2-carboxylate|CS-0148779

Structure of 35212-90-9

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General Information

  • CAS No. 35212-90-9
  • Cat. No. CS-0148779
  • Purity 95+%
  • MDL No. MFCD02647200
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₄S
  • Molecular Weight 252.25
  • Synonym(s) Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate
  • SMILES O=C(C1=C(N)C2=CC=C([N+]([O-])=O)C=C2S1)OC

Synthesis

  • Route1

    References

    • Warner-Lambert Company Patent: US6344459 B1, 2002 ; Location in patent: Page column 71 ; US 6344459 B1
  • Route2
    • null|null
      4110-33-2
    • In-stock
      Anhydrous potassium carbonate, 99.995% metals basis|CS-0644452
      584-08-7
    • null|null
      623-51-8
    • ~46%
    • Methyl 3-amino-6-nitrobenzo[b]thiophene-2-carboxylate|CS-0148779
      35212-90-9

    References

    • Abbott Laboratories Patent: US5597823 A1, 1997 ; US 5597823 A
  • Route3

    References

    • Bridges, Alexander J.; Zhou, Hairong Journal of Heterocyclic Chemistry, 1997 , vol. 34, # 4 p. 1163 - 1172

Safety Information

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Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   95.46
  • LogP   2.1783
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   2

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