structure of 1,3-Benzodioxol-4-ylacetic acid

1,3-Benzodioxol-4-ylacetic acid

CAS No.: 100077-49-4
M. Wt: 180.15700
M. Fa: C9H8O4
InChI Key: NXLXDCHSJLNMGU-UHFFFAOYSA-N

Names and Identifiers of 1,3-Benzodioxol-4-ylacetic acid

CAS Number

100077-49-4

IUPAC Name

2-(1,3-benzodioxol-4-yl)acetic acid

InChI

InChI=1S/C9H8O4/c10-8(11)4-6-2-1-3-7-9(6)13-5-12-7/h1-3H,4-5H2,(H,10,11)

InChIKey

NXLXDCHSJLNMGU-UHFFFAOYSA-N

Canonical SMILES

C1OC2=CC=CC(=C2O1)CC(=O)O

Physical and chemical properties of 1,3-Benzodioxol-4-ylacetic acid

Exact Mass

180.04200

LogP

1.04240

Molecular Formula

C9H8O4

Molecular Weight

180.15700

PSA

55.76000

Applications of 1,3-Benzodioxol-4-ylacetic acid

1,3-Benzodioxol-4-ylacetic acid finds applications in various fields:

  • Pharmaceuticals: Due to its bioactive properties, it can be used in drug development.
  • Agriculture: Its role as an auxin receptor agonist makes it beneficial for plant growth regulation.
  • Chemical Synthesis: It serves as an intermediate in the synthesis of other complex organic compounds.

Interaction Studies of 1,3-Benzodioxol-4-ylacetic acid

Research on the interactions of 1,3-Benzodioxol-4-ylacetic acid with biological systems has revealed its potential as a modulator of plant growth hormones. Studies indicate that it binds effectively to auxin receptors, influencing gene expression related to root development. Further studies are necessary to explore its interactions with other biological targets.

Biological Activity of 1,3-Benzodioxol-4-ylacetic acid

1,3-Benzodioxol-4-ylacetic acid exhibits significant biological activity, particularly as an auxin receptor agonist. It has been shown to enhance root growth in plants by promoting auxin-related signaling pathways. This property makes it a candidate for agricultural applications, particularly in enhancing crop yields. Additionally, compounds with similar structures have been found to possess antimicrobial and anti-inflammatory properties.

Retrosynthesis analysis of 1,3-Benzodioxol-4-ylacetic acid

  • Route#1

    Cas:156636-22-5
    Cas:100077-49-4
  • Route#2

    Cas:7797-83-3
    Cas:100077-49-4