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CS-W001157 4
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Methyl 3-acetyl-4-aminobenzoate

  • CAS No. 111714-47-7

  • Cat. No. CS-W022817
  • Molecule weight193.20
  • Purity≥95%
  • MDL No.MFCD11656627

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

Methyl 3-acetyl-4-aminobenzoate|CS-W022817

Structure of 111714-47-7

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General Information

  • CAS No. 111714-47-7
  • Cat. No. CS-W022817
  • Purity ≥95%
  • MDL No. MFCD11656627
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃
  • Molecular Weight 193.20
  • Synonym(s) Benzoic acid, 3-acetyl-4-amino-, methyl ester (9CI)
  • SMILES COC(=O)C1=CC(C(C)=O)=C(N)C=C1

Description

Methyl 3-acetyl-4-aminobenzoate features a conjugated system with complementary electron-donating and electron-withdrawing groups, enabling efficient coupling in multistep syntheses. The acetyl moiety enhances regioselectivity in electrophilic transformations, while the methyl ester serves as a stable handle for downstream derivatization under standard conditions.

Application

Methyl 3-acetyl-4-aminobenzoate serves as a versatile synthetic intermediate in medicinal chemistry, enabling straightforward access to substituted benzimidazoles and other heterocyclic scaffolds. The acetyl group facilitates electrophilic substitution or condensation reactions, while the methyl ester allows for selective reduction or hydrolysis. Its bench-stable nature and compatibility with standard purification methods make it well-suited for multi-step synthesis workflows.

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

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Computational Chemistry Data

  • TPSA   69.39
  • LogP   1.258
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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