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CS-W001157 4
Total: USD 88.00

Methyl 2-(3-chlorophenyl)acetate

  • CAS No. 53088-68-9

  • Cat. No. CS-0088560
  • Purity≥95%
  • MDL No.MFCD00800679

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

Methyl 2-(3-chlorophenyl)acetate|CS-0088560

Structure of 53088-68-9

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General Information

  • CAS No. 53088-68-9
  • Cat. No. CS-0088560
  • Purity ≥95%
  • MDL No. MFCD00800679
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₂
  • Molecular Weight 184.62
  • Synonym(s) Methyl 3-Chlorophenylacetate
  • SMILES O=C(OC)CC1=CC=CC(Cl)=C1

Description

Methyl 2-(3-chlorophenyl)acetate is a chlorinated aromatic ester featuring a benzylic ester linkage. This compound serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals, offering enhanced reactivity at the carbonyl center due to the electron-withdrawing chlorine substituent. The para-chloro group stabilizes adjacent carbanions and facilitates selective functionalization under mild conditions.

Application

Methyl 2-(3-chlorophenyl)acetate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to biologically relevant arylacetic acid derivatives. Its stability under standard reaction conditions and compatibility with diverse transformations—such as nucleophilic substitutions, reductions, and coupling reactions—facilitates straightforward functionalization of the aromatic ring and side-chain manipulation. The methyl ester group allows for selective derivatization, while the 3-chloro substituent provides a handle for further electrophilic or cross-coupling modifications.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Chlorophenylacetic acid|CS-W010777
      1878-65-5
    • ~99%
    • In-stock
      Methyl 2-(3-chlorophenyl)acetate|CS-0088560
      53088-68-9

    References

    • Tetrahedron, , vol. 53, # 38 p. 13149 - 13164
  • Route2
    • null|null
      7664-93-9
    • In-stock
      3-Chlorophenylacetic acid|CS-W010777
      1878-65-5
    • ~%
    • In-stock
      Methyl 2-(3-chlorophenyl)acetate|CS-0088560
      53088-68-9

    References

    • US6048893 A1, ; US 6048893 A US6124343 A1, ;
  • Route3
    • null|null
      84508-62-3
    • ~%
    • In-stock
      Methyl 2-(3-chlorophenyl)acetate|CS-0088560
      53088-68-9

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 11 p. 2575 - 2582

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0555
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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