structure of 4-Amino-2-(methoxycarbonyl)benzoic acid

4-Amino-2-(methoxycarbonyl)benzoic acid

CAS No.: 1000342-08-4
M. Wt: 195.172
M. Fa: C9H9NO4
InChI Key: QYIMVQNDYUAYTM-UHFFFAOYSA-N

Names and Identifiers of 4-Amino-2-(methoxycarbonyl)benzoic acid

CAS Number

1000342-08-4

IUPAC Name

4-amino-2-methoxycarbonylbenzoic acid

InChI

InChI=1S/C9H9NO4/c1-14-9(13)7-4-5(10)2-3-6(7)8(11)12/h2-4H,10H2,1H3,(H,11,12)

InChIKey

QYIMVQNDYUAYTM-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=C(C=CC(=C1)N)C(=O)O

Physical and chemical properties of 4-Amino-2-(methoxycarbonyl)benzoic acid

Boiling Point

418.4±35.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

195.053162

Flash Point

206.8±25.9 °C

Index of Refraction

1.609

LogP

0.17

Molecular Formula

C9H9NO4

Molecular Weight

195.172

Vapour Pressure

0.0±1.0 mmHg at 25°C

Applications of 4-Amino-2-(methoxycarbonyl)benzoic acid

4-Amino-2-(methoxycarbonyl)benzoic acid has diverse applications:

  • Organic Synthesis: It serves as a building block for more complex organic molecules.
  • Pharmaceuticals: Investigated for its potential use in drug development and as an intermediate in pharmaceutical synthesis.
  • Dyes and Pigments: Employed in producing various dyes and pigments due to its chemical properties.

Interaction Studies of 4-Amino-2-(methoxycarbonyl)benzoic acid

The mechanism of action for 4-Amino-2-(methoxycarbonyl)benzoic acid involves interactions with specific molecular targets. The amino group can form hydrogen bonds with biological molecules, influencing their functionality. Additionally, the methoxycarbonyl group can participate in esterification reactions, further modifying the compound's reactivity and interaction profile.

Biological Activity of 4-Amino-2-(methoxycarbonyl)benzoic acid

Research indicates that 4-Amino-2-(methoxycarbonyl)benzoic acid exhibits biological activity that may be relevant in pharmacology. It serves as a precursor in synthesizing biologically active compounds, suggesting potential medicinal applications. Its ability to form hydrogen bonds through the amino group allows it to interact with various biological targets, influencing their activity. Studies are ongoing to explore its role in drug development and other therapeutic applications.