Cas no 40180-96-9 (1-(2,5-dimethoxyphenyl)propan-2-ol)

1-(2,5-Dimethoxyphenyl)propan-2-ol is a synthetic organic compound featuring a phenyl ring substituted with two methoxy groups at the 2- and 5-positions, along with a propan-2-ol side chain. This structure imparts unique physicochemical properties, making it a valuable intermediate in pharmaceutical and fine chemical synthesis. Its dimethoxy substitution pattern enhances electron density, influencing reactivity in electrophilic aromatic substitution and other transformations. The secondary alcohol moiety provides a functional handle for further derivatization, such as esterification or oxidation. The compound’s well-defined structure and stability under standard conditions ensure reproducibility in synthetic applications. It is commonly utilized in research settings for the development of novel bioactive molecules and complex organic frameworks.
1-(2,5-dimethoxyphenyl)propan-2-ol structure
40180-96-9 structure
Product Name:1-(2,5-dimethoxyphenyl)propan-2-ol
CAS No:40180-96-9
MF:C11H16O3
MW:196.242943763733
MDL:MFCD21604411
CID:1511900
PubChem ID:268576
Update Time:2025-05-22

1-(2,5-dimethoxyphenyl)propan-2-ol Chemical and Physical Properties

Names and Identifiers

    • 1-(2,5-dimethoxyphenyl)propan-2-ol
    • AR-1L0240
    • CTK1D8925
    • AG-J-18611
    • NSC108871
    • 1-(2,5-dimethoxyphenyl)-2-propanol
    • AC1L6KKA
    • AC1Q57BH
    • A-methyl-
    • phenethyl alcohol, 2,5-dimethoxy-
    • EN300-1827213
    • Benzeneethanol,2,5-dimethoxy-a-methyl-,(aS)-
    • SB84941
    • Phenethyl alcohol, 2,5-dimethoxy-alpha-methyl-
    • 609771-69-9
    • NSC 108871
    • NSC-108871
    • DS-007938
    • SCHEMBL13692380
    • DTXSID30296333
    • 40180-96-9
    • MDL: MFCD21604411
    • Inchi: 1S/C11H16O3/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8,12H,6H2,1-3H3
    • InChI Key: RPYWIZDAMGNPJB-UHFFFAOYSA-N
    • SMILES: OC(C)CC1C=C(C=CC=1OC)OC

Computed Properties

  • Exact Mass: 196.10998
  • Monoisotopic Mass: 196.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 161
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • Density: 1.062±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (3.9 g/l) (25 o C),
  • PSA: 38.69

1-(2,5-dimethoxyphenyl)propan-2-ol Pricemore >>

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1-(2,5-dimethoxyphenyl)propan-2-ol Related Literature

Additional information on 1-(2,5-dimethoxyphenyl)propan-2-ol

Comprehensive Guide to 1-(2,5-dimethoxyphenyl)propan-2-ol (CAS No. 40180-96-9): Properties, Applications, and Market Insights

1-(2,5-dimethoxyphenyl)propan-2-ol (CAS No. 40180-96-9) is a specialized organic compound with a unique molecular structure that combines aromatic and aliphatic properties. This compound, often referred to in research circles as 2,5-dimethoxypropanol, has garnered attention for its versatile applications in pharmaceuticals, agrochemicals, and material science. Its chemical formula, C11H16O3, and molecular weight of 196.24 g/mol make it a valuable intermediate in synthetic chemistry.

The compound features a phenyl ring substituted with two methoxy groups at the 2 and 5 positions, along with a propan-2-ol side chain. This configuration contributes to its solubility in organic solvents like ethanol and acetone, while its moderate polarity makes it useful in various reaction conditions. Researchers have explored its potential as a precursor for psychoactive derivatives, though strictly in controlled laboratory settings for analytical or medicinal chemistry purposes.

In pharmaceutical research, 1-(2,5-dimethoxyphenyl)propan-2-ol serves as a key building block for developing novel compounds. Its structural similarity to certain neurotransmitter analogs has made it valuable in neuroscience studies, particularly in understanding receptor interactions. The compound's stability under physiological conditions allows researchers to investigate its potential metabolic pathways without significant degradation.

The agrochemical industry utilizes derivatives of 40180-96-9 in developing next-generation plant growth regulators and pesticide formulations. Its aromatic structure provides the necessary lipophilicity for effective penetration through plant cuticles, while the hydroxyl group offers sites for further chemical modifications. Recent studies have shown promising results in creating environmentally friendly alternatives to traditional agrochemicals using this compound as a starting material.

Material science applications of 1-(2,5-dimethoxyphenyl)propan-2-ol include its use as a monomer or crosslinking agent in specialty polymers. The compound's ability to form hydrogen bonds through its hydroxyl group makes it valuable in creating polymers with specific mechanical and thermal properties. Researchers are particularly interested in its potential for developing smart materials that respond to environmental stimuli.

From a synthetic chemistry perspective, the compound's methoxy groups offer protection for sensitive reactions, while the alcohol functionality provides an excellent handle for further derivatization. This dual functionality makes CAS 40180-96-9 particularly valuable in multi-step synthetic routes where selective protection and deprotection strategies are required.

The global market for 1-(2,5-dimethoxyphenyl)propan-2-ol has seen steady growth, driven by increasing demand from pharmaceutical and material science sectors. Current market analysis suggests a compound annual growth rate (CAGR) of approximately 5-7% for the next five years. Pricing trends indicate moderate fluctuations based on raw material availability and regional production capacities.

Quality control standards for 40180-96-9 typically require HPLC purity of ≥98%, with strict limits on related substances. Analytical methods for characterization include GC-MS, NMR spectroscopy, and infrared spectroscopy. These rigorous quality standards ensure the compound's reliability for research and industrial applications.

Environmental and safety considerations for handling 1-(2,5-dimethoxyphenyl)propan-2-ol include standard laboratory precautions. While not classified as highly hazardous, proper ventilation and personal protective equipment are recommended when working with this compound. Disposal should follow local regulations for organic chemical waste.

Recent scientific literature highlights innovative applications of 2,5-dimethoxypropanol derivatives in drug discovery programs. Several research groups have reported successful incorporation of this scaffold into potential therapeutic agents targeting neurological disorders. These developments underscore the compound's continuing relevance in medicinal chemistry.

Future research directions for CAS 40180-96-9 may explore its potential in green chemistry applications. The compound's structural features make it a candidate for catalytic transformations using environmentally benign conditions. Additionally, its use in polymer chemistry may expand as demand grows for sustainable materials with tailored properties.

For researchers sourcing 1-(2,5-dimethoxyphenyl)propan-2-ol, verification of supplier credentials and batch-specific analytical data is crucial. Reputable suppliers typically provide comprehensive certificates of analysis, including chromatograms and spectral data. Proper storage conditions (typically room temperature in airtight containers) help maintain the compound's stability over extended periods.

The synthesis of 40180-96-9 typically involves Williamson ether synthesis or nucleophilic aromatic substitution reactions, followed by appropriate purification steps. Process optimization continues to be an area of active research, with recent publications describing improved yields and reduced environmental impact through solvent selection and catalyst development.

In analytical chemistry applications, 1-(2,5-dimethoxyphenyl)propan-2-ol serves as a valuable reference standard and internal standard for various chromatographic methods. Its distinctive mass spectral fragmentation pattern and UV absorption characteristics make it particularly useful in method development and validation studies.

As regulatory landscapes evolve, compliance documentation for 2,5-dimethoxypropanol becomes increasingly important. Manufacturers and distributors must maintain up-to-date safety data sheets and regulatory filings to ensure uninterrupted supply to research and industrial users worldwide.

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