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CS-W001157 4
Total: USD 88.00

Ethyl benzimidate hydrochloride

  • CAS No. 5333-86-8

  • Cat. No. CS-0132939
  • Purity≥97%
  • MDL No.MFCD00043246

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

Ethyl benzimidate hydrochloride|CS-0132939

Structure of 5333-86-8

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General Information

  • CAS No. 5333-86-8
  • Cat. No. CS-0132939
  • Purity ≥97%
  • MDL No. MFCD00043246
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂ClNO
  • Molecular Weight 185.65
  • Synonym(s) ethyl benzenecarboximidoate
  • SMILES N=C(C1=CC=CC=C1)OCC.[H]Cl

Description

Ethyl benzimidate hydrochloride reacts with (R)-ethyl cysteine hydrochloride in ethanol to yield (4R)-ethyl 2-phenyl-4,5-dihydrothiazole-4-carboxylate. It reacts with D-Penicillamine methyl ester hydrochloride and triethylamine to yield methyl-5,5- dimethyl-2-phenyl-2-thiazoline-4-carboxylate.Intermediate for synthesis

Synthesis

  • Route1
    • null|null
      64-17-5
    • null|null
      100-47-0
    • ~89%
    • In-stock
      Ethyl benzimidate hydrochloride|CS-0132939
      5333-86-8

    References

    • Meyers; Schmidt; McKennon Synthesis, 1993 , # 2 p. 250 - 262
  • Route2
    • null|null
      101414-51-1
    • ~83%
    • null|null
      13088-17-0
    • In-stock
      Ethyl benzimidate hydrochloride|CS-0132939
      5333-86-8

    References

    • Journal of Organic Chemistry USSR (English Translation), , p. 1166 - 1171 Zhurnal Organicheskoi Khimii, , vol. 21, # 6 p. 1281 - 1286
  • Route3
    • null|null
      33243-83-3
    • ~%
    • In-stock
      Ethyl benzimidate hydrochloride|CS-0132939
      5333-86-8

    References

    • Journal of Organic Chemistry USSR (English Translation), , p. 1166 - 1171 Zhurnal Organicheskoi Khimii, , vol. 21, # 6 p. 1281 - 1286

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   33.08
  • LogP   2.47027
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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