Cas no 895240-50-3 (4-Methoxy-3-(3-methoxypropoxyl)benzoicacid)

4-Methoxy-3-(3-methoxypropoxyl)benzoic acid is a synthetic benzoic acid derivative featuring methoxy and methoxypropoxyl substituents at the 3- and 4-positions of the aromatic ring. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile functional groups, which enable further derivatization or serve as intermediates in complex molecule construction. The presence of ether linkages enhances solubility in polar organic solvents, facilitating its use in reaction schemes requiring controlled reactivity. Its structural features may also contribute to potential biological activity, making it a candidate for exploratory studies in medicinal chemistry. The compound is typically characterized by high purity and stability under standard storage conditions.
4-Methoxy-3-(3-methoxypropoxyl)benzoicacid structure
895240-50-3 structure
Product Name:4-Methoxy-3-(3-methoxypropoxyl)benzoicacid
CAS No:895240-50-3
MF:C12H16O5
MW:240.252444267273
CID:69389
PubChem ID:19039502
Update Time:2025-10-28

4-Methoxy-3-(3-methoxypropoxyl)benzoicacid Chemical and Physical Properties

Names and Identifiers

    • 4-methoxy-3-(3-methoxypropoxyl)benzoic acid
    • 4-methoxy-3-(3-methoxypropoxy)benzoic acid
    • 4-methoxy-3-(3-methoxy-propoxy)benzoic acid
    • 3-(3-Methoxypropoxy)-4-methoxybenzoicacid
    • Benzoic acid,4-methoxy-3-(3-methoxypropoxy)
    • 3-(3-Methoxypropoxy)-4-methoxybenzoic acid
    • SCHEMBL88998
    • Benzoic acid,4-methoxy-3-(3-methoxypropoxy)-
    • AKOS005936125
    • 3-(3-methoxy-propoxy)-4-methoxy-benzoic acid
    • 4-Methoxy-3-(3-methoxy-propoxy)-benzoic acid
    • DTXSID70597634
    • BSMIUCOCVISYDX-UHFFFAOYSA-N
    • 895240-50-3
    • FT-0696119
    • 4-Methoxy-3-(3-methoxypropoxyl)benzoicacid
    • Inchi: 1S/C12H16O5/c1-15-6-3-7-17-11-8-9(12(13)14)4-5-10(11)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
    • InChI Key: BSMIUCOCVISYDX-UHFFFAOYSA-N
    • SMILES: O(C1C=C(C(=O)O)C=CC=1OC)CCCOC

Computed Properties

  • Exact Mass: 240.10000
  • Monoisotopic Mass: 240.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 65?2

Experimental Properties

  • Density: 1.167
  • PSA: 64.99000
  • LogP: 1.80870

4-Methoxy-3-(3-methoxypropoxyl)benzoicacid Pricemore >>

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Additional information on 4-Methoxy-3-(3-methoxypropoxyl)benzoicacid

4-Methoxy-3-(3-methoxypropoxyl)benzoic Acid (CAS No. 895240-50-3): A Comprehensive Overview

4-Methoxy-3-(3-methoxypropoxyl)benzoic acid (CAS No. 895240-50-3) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research and fine chemical synthesis. This methoxy-substituted benzoic acid derivative exhibits unique chemical properties that make it valuable for various applications, particularly in drug development and material science. With the increasing demand for high-purity intermediates in the pharmaceutical industry, compounds like 4-Methoxy-3-(3-methoxypropoxyl)benzoic acid are becoming essential building blocks for innovative therapies.

The molecular structure of 4-Methoxy-3-(3-methoxypropoxyl)benzoic acid features a benzoic acid core with two distinct methoxy groups at the 4-position and a 3-methoxypropoxyl side chain at the 3-position. This arrangement contributes to its enhanced solubility in organic solvents compared to simpler benzoic acid derivatives, making it particularly useful in formulation development. Recent trends in green chemistry have highlighted the importance of such structurally complex yet environmentally benign compounds, as they often require fewer synthetic steps and generate less waste than traditional alternatives.

In pharmaceutical applications, 4-Methoxy-3-(3-methoxypropoxyl)benzoic acid serves as a crucial intermediate in the synthesis of various active pharmaceutical ingredients (APIs). Its structural features allow for efficient modification, enabling medicinal chemists to create novel drug candidates with improved pharmacokinetic properties. The compound's dual methoxy functionality has shown particular promise in the development of central nervous system (CNS) drugs, where such substitutions can enhance blood-brain barrier penetration. Current research in neurodegenerative disease treatments has identified similar structural motifs as potentially valuable for targeting protein misfolding disorders.

The synthesis of 4-Methoxy-3-(3-methoxypropoxyl)benzoic acid typically involves multi-step organic reactions starting from commercially available precursors. Modern process optimization techniques, including flow chemistry and catalytic methods, have significantly improved the yield and purity of this compound. These advancements align with the pharmaceutical industry's growing emphasis on cost-effective manufacturing and sustainable production practices. Analytical characterization of the compound typically employs techniques such as HPLC, NMR spectroscopy, and mass spectrometry to ensure batch-to-batch consistency and regulatory compliance.

Beyond pharmaceutical applications, 4-Methoxy-3-(3-methoxypropoxyl)benzoic acid finds use in specialty chemical formulations. Its aromatic carboxylic acid structure makes it suitable for creating advanced materials with specific electronic or optical properties. Researchers exploring organic electronic materials have investigated similar compounds for potential use in organic light-emitting diodes (OLEDs) and photovoltaic devices. The compound's ability to form stable complexes with various metals also suggests potential applications in catalysis and coordination chemistry.

Market demand for 4-Methoxy-3-(3-methoxypropoxyl)benzoic acid has shown steady growth, particularly from contract research organizations (CROs) and generic drug manufacturers. The global push toward personalized medicine and targeted therapies has increased the need for specialized intermediates like this compound. Quality standards for pharmaceutical-grade material typically require purity levels exceeding 98%, with strict controls on residual solvents and heavy metals. Suppliers catering to the GMP-compliant market must adhere to rigorous documentation and quality assurance protocols.

Storage and handling of 4-Methoxy-3-(3-methoxypropoxyl)benzoic acid require standard laboratory precautions for organic compounds. The material is generally stable under recommended storage conditions (typically room temperature in a dry environment), though prolonged exposure to moisture or extreme temperatures should be avoided. Proper material safety data sheets (MSDS) should always be consulted before handling, and appropriate personal protective equipment (PPE) should be used during laboratory operations.

Future research directions for 4-Methoxy-3-(3-methoxypropoxyl)benzoic acid may explore its potential in emerging therapeutic areas and advanced material applications. The compound's structural versatility makes it an attractive candidate for drug repurposing studies and combinatorial chemistry approaches. Additionally, the growing field of bioconjugation chemistry may find utility for this compound in creating targeted drug delivery systems or diagnostic probes. As synthetic methodologies continue to advance, more efficient routes to this and related compounds will likely emerge, further expanding their commercial and scientific potential.

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