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CS-W001157 4
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Methyl 4-amino-2-isopropoxybenzoate

  • CAS No. 909563-22-0

  • Cat. No. CS-0059762
  • Purity≥98%
  • MDL No.MFCD24624427

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

Methyl 4-amino-2-isopropoxybenzoate|CS-0059762

Structure of 909563-22-0

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General Information

  • CAS No. 909563-22-0
  • Cat. No. CS-0059762
  • Purity ≥98%
  • MDL No. MFCD24624427
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₃
  • Molecular Weight 209.24
  • Synonym(s) Benzoic acid, 4-amino-2-(1-methylethoxy)-, methyl ester
  • SMILES O=C(OC)C1=CC=C(N)C=C1OC(C)C

Description

Methyl 4-amino-2-isopropoxybenzoate features a strategically positioned amino group and isopropoxy substituent on the aromatic ring, enabling enhanced solubility and tunable electronic properties. This compound serves as a key intermediate in the synthesis of bioactive molecules and functional materials, offering reliable stability under standard conditions.

Application

Methyl 4-amino-2-isopropoxybenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzamides and heterocyclic scaffolds. Its ortho-isopropoxy group enhances regioselectivity in electrophilic substitution, while the amino and ester functionalities offer orthogonal handles for sequential derivatization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development.

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   61.55
  • LogP   1.8426
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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