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CS-W001157 4
Total: USD 88.00

2-Chloro-N-methylacetamide

  • CAS No. 96-30-0

  • Cat. No. CS-W007769
  • Molecule weight107.54
  • Purity≥98%
  • MDL No.MFCD00018913

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

2-Chloro-N-methylacetamide|CS-W007769

Structure of 96-30-0

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General Information

  • CAS No. 96-30-0
  • Cat. No. CS-W007769
  • Purity ≥98%
  • MDL No. MFCD00018913
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₆ClNO
  • Molecular Weight 107.54
  • Synonym(s) OTAVA-BB BB7020410071; 2-Chloro-N-methylacetamide
  • SMILES O=C(NC)CCl

Description

2-Chloro-N-methylacetamide features a chlorinated acetyl group paired with a methylamino substituent, delivering enhanced reactivity in nucleophilic substitution and amide coupling processes. This bench-stable compound integrates readily into synthetic pathways requiring selective electrophilic functionality.

Application

2-Chloro-N-methylacetamide serves as a versatile acylating agent and synthetic intermediate in organic synthesis, enabling efficient amide bond formation under mild conditions. Its chloroacetyl moiety facilitates nucleophilic substitution reactions with amines and heterocycles, while the N-methyl group enhances stability and solubility. The compound exhibits good bench stability and is compatible with common functional groups, making it well-suited for building complex scaffolds in medicinal chemistry and process development workflows.

Synthesis

  • Route1
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    • ~79%
    • In-stock
      2-Chloro-N-methylacetamide|CS-W007769
      96-30-0

    References

    • Canadian Journal of Chemistry, , vol. 91, # 3 p. 211 - 219
  • Route2
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      50848-97-0
    • ~88%
    • In-stock
      2-Chloro-N-methylacetamide|CS-W007769
      96-30-0

    References

    • Canadian Journal of Chemistry, , vol. 59, p. 431 - 450
  • Route3
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      593-51-1
    • null|null
      79-04-9
    • ~85%
    • In-stock
      2-Chloro-N-methylacetamide|CS-W007769
      96-30-0

    References

    • Journal of the Chemical Society. Perkin Transactions 2, , # 9 p. 1819 - 1831

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   -0.0288
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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