Cas no 39515-47-4 (a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%))

a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) is a high-purity chemical intermediate primarily used in the synthesis of pyrethroid insecticides and other fine chemicals. Its key advantage lies in its role as a precursor in the production of compounds with enhanced pesticidal activity, owing to the presence of both hydroxyl and nitrile functional groups, which facilitate further chemical modifications. The product's purity (>90%) ensures consistent reactivity and yield in downstream applications. Its structural features contribute to improved selectivity and efficiency in synthetic pathways, making it valuable for industrial and research applications requiring precise molecular control. Proper handling and storage are recommended due to its reactivity.
a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) structure
39515-47-4 structure
Product Name:a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%)
CAS No:39515-47-4
MF:C14H11NO2
MW:225.242643594742
MDL:MFCD00001861
CID:841085
PubChem ID:93218
Update Time:2025-05-21

a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) Chemical and Physical Properties

Names and Identifiers

    • 2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile
    • m-Phenoxybenzaldehyde cyanohydrin
    • alpha-Hydroxy-m-phenoxyphenylacetonitrile
    • (3-Phenoxyphenyl)glycolonitrile
    • Hydroxy(3-phenoxyphenyl)acetonitrile
    • alpha-Cyano-3-phenoxybenzyl alcohol
    • alpha-Cyano-m-phenoxybenzyl alcohol
    • 3-Phenoxy-alpha-cyanobenzyl alcohol
    • (RS)-alpha-Cyano-3-phenoxybenzyl alcohol
    • Hydroxy-(3-phenoxyphenyl)acetonitrile
    • Hydroxy(3-phenoxyphenyl)acetonitrile #
    • Alpha-Hydroxy-3-phenoxybenzeneacetonitrile (>90%)
    • Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (S)-
    • FT-0605327
    • Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-
    • 2-oxidanyl-2-(3-phenoxyphenyl)ethanenitrile
    • FT-0616312
    • BCP26330
    • AS-38226
    • W-105838
    • alpha-Hydroxy-3-phenoxybenzeneacetonitrile (alphaS)-
    • SCHEMBL192456
    • Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-
    • A824596
    • AKOS005831715
    • (S)-(-)-alpha-Cyano-3-phenoxybenzyl alcohol
    • (+/-)-alpha-cyano-3-phenoxybenzyl alcohol
    • EC 441-070-6
    • NS00056384
    • A829021
    • Benzeneacetonitrile, .alpha.-hydroxy-3-phenoxy-
    • 52315-06-7
    • alpha-hydroxy-3-phenoxy-benzeneacetonitrile
    • 3-Phenoxybenzaldehydecyanohydrin
    • MFCD00001861
    • (RS)alpha-cyano-3-phenoxy-benzyl alcohol
    • FT-0616311
    • 3-Phenoxybenzaldehyde cyanohydrin
    • EINECS 254-486-6
    • (+)-alpha-cyano-3-phenoxybenzyl alcohol
    • alpha-Hydroxy-3-phenoxybenzeneacetonitrile
    • alpha-cyano-3-phenoxy-benzyl alcohol
    • 3-Phenoxymandelonitrile
    • EINECS 257-841-3
    • DTXSID00885773
    • CS-0171407
    • 39515-47-4
    • Benzeneacetonitrile, .alpha.-hydroxy-3-phenoxy-, (.+/-.)-
    • (S)-alpha-hydroxy-3-phenoxy-benzeneacetonitrile
    • (cyano)(3-phenoxyphenyl)methanol
    • (S)-alpha-Hydroxy-3-phenoxybenzeneacetonitrile
    • a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%)
    • MDL: MFCD00001861
    • Inchi: 1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H
    • InChI Key: GXUQMKBQDGPMKZ-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1=CC=CC(C(C#N)O)=C1

Computed Properties

  • Exact Mass: 225.07903
  • Monoisotopic Mass: 225.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 277
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6
  • Topological Polar Surface Area: 53.2?2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Sticky Oil to Semi-Solid
  • Density: 1.220±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 79 oC (ethanol )
  • Solubility: Very slightly soluble (0.16 g/l) (25 o C),
  • PSA: 53.25
  • Solubility: Not available

a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) Security Information

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Additional information on a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%)

Introduction to a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) and Its Significance in Modern Chemical Research

Chemical compounds play an indispensable role in the advancement of pharmaceuticals, agrochemicals, and material sciences. Among these, a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%), with the CAS number 39515-47-4, stands out as a versatile intermediate with significant applications. This compound, characterized by its high purity (>90%), has garnered attention in recent years due to its utility in synthesizing various biologically active molecules. The structural integrity of this compound, featuring both hydroxyl and nitrile functional groups, makes it a valuable building block for further chemical modifications and derivations.

The a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) molecule is a derivative of phenoxybenzene, which has been extensively studied for its pharmacological properties. The presence of the hydroxyl group at the alpha position relative to the phenoxy ring enhances its reactivity, making it an attractive candidate for further functionalization. This property is particularly useful in the synthesis of pharmaceutical intermediates, where selective modifications are often required to achieve desired biological activities.

In recent years, there has been a surge in research focusing on the development of novel therapeutic agents targeting various diseases. The a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) compound has been utilized in several synthetic pathways leading to the development of new drugs. For instance, it serves as a precursor in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents that modulate inflammatory responses. The nitrile group in this compound can be hydrolyzed to form carboxylic acids, which are crucial for drug design and development.

The pharmaceutical industry has been increasingly interested in exploring natural product-inspired scaffolds for drug discovery. The structural motif present in a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) closely resembles several bioactive natural products, making it a promising candidate for further exploration. Researchers have leveraged this compound to develop inhibitors of key enzymes involved in disease pathways. For example, derivatives of this compound have shown promise in inhibiting cyclooxygenase (COX) enzymes, which are pivotal in the production of prostaglandins involved in inflammation.

Beyond pharmaceutical applications, the a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) compound has found utility in material science. Its ability to undergo various chemical transformations makes it a valuable intermediate in the synthesis of polymers and specialty chemicals. Researchers have utilized this compound to develop novel polymers with enhanced mechanical properties and biodegradability. These advancements are particularly relevant in the context of sustainable chemistry, where there is a growing demand for environmentally friendly materials.

The synthesis of a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) involves multi-step organic reactions that highlight the compound's synthetic versatility. One common synthetic route involves the reaction of phenoxyacetonitrile with formic acid under acidic conditions, followed by hydrolysis and oxidation steps to introduce the hydroxyl group at the alpha position. This method underscores the compound's importance as a synthetic intermediate and its potential for further chemical manipulation.

The purity of a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%) is critical for its applications in pharmaceutical research. High-purity compounds ensure minimal impurities that could interfere with biological assays and synthetic pathways. Manufacturers have developed sophisticated purification techniques to achieve high-purity grades of this compound, ensuring its reliability in research and industrial applications.

In conclusion, a-Hydroxy-3-phenoxybenzeneacetonitrile (>90%), with CAS number 39515-47-4, is a significant chemical intermediate with diverse applications in pharmaceuticals and material sciences. Its structural features and reactivity make it an invaluable building block for synthesizing biologically active molecules and advanced materials. As research continues to evolve, this compound is expected to play an even greater role in addressing global challenges in health and sustainability.

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