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Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

  • CAS No. 101667-98-5

  • Cat. No. CS-W022688
  • Molecule weight256.71
  • Purity≥97%
  • MDL No.MFCD01097096

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

Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate|CS-W022688

Structure of 101667-98-5

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General Information

  • CAS No. 101667-98-5
  • Cat. No. CS-W022688
  • Purity ≥97%
  • MDL No. MFCD01097096
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClN₂O₂S
  • Molecular Weight 256.71
  • Synonym(s) Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-5-methyl-, ethyl ester
  • SMILES CCOC(=O)C1=C(C)C2=C(S1)N=CN=C2Cl

Synthesis

  • Route1
    • Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxylate|CS-0700994
      17417-67-3
    • ~95%
    • In-stock
      Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate|CS-W022688
      101667-98-5

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/42537 A1, 2005 ; Location in patent: Page/Page column 57 ; WO 2005/042537 A1
  • Route2
    • In-stock
      Diethyl 2-amino-4-methylthiophene-3,5-dicarboxylate|CS-W004484
      4815-30-9
    • null|null
      77287-34-4
    • ~%
    • In-stock
      Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate|CS-W022688
      101667-98-5

    References

    • Jain, Kishor S.; Khedkar, Vijay M.; Arya, Nikhilesh; Rane, Prasad V.; Chaskar, Pratip K.; Coutinho, Evans C. European Journal of Medicinal Chemistry, 2014 , vol. 77, p. 166 - 175
  • Route3

    References

    • Baumgartner; Pech; Bohm Pharmazie, 1993 , vol. 48, # 3 p. 192 - 194

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   2.82982
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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