Cas no 113187-28-3 (Allyl Diethylphosphonoacetate)

Allyl Diethylphosphonoacetate structure
Allyl Diethylphosphonoacetate structure
Product Name:Allyl Diethylphosphonoacetate
CAS No:113187-28-3
MF:C9H17O5P
MW:236.202044248581
MDL:MFCD00191710
CID:130076
PubChem ID:24865325
Update Time:2025-07-22

Allyl Diethylphosphonoacetate Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2-(diethoxyphosphinyl)-, 2-propen-1-yl ester
    • Allyl Diethylphosphonoacetate
    • prop-2-enyl 2-diethoxyphosphorylacetate
    • 2-propen-1-yl diethoxyphosphorylacetate
    • Allyl P,P-diethylphosphonoacetate
    • diethylphosphorylacetic acid allyl ester
    • Phosphonoacetic acid P,P-diethyl allyl ester
    • Aceticacid, (diethoxyphosphinyl)-, 2-propenyl ester (9CI)
    • Acetic acid, phosphono-,allyl P,P-diethyl ester (6CI)
    • DIETHYL(3-PROP-1-ENYL)PHOSPHONATE
    • Allyl Diethylphosphonoacetate(WXC00005)
    • Diethyl (3-prop-1-enyl)phosphonoacetate
    • Allyl P,P-diethylphosphonoacetate 97%
    • Diethyl(3-prop-1-enyl)phosphonate, 98 %
    • DTXSID50404519
    • prop-2-en-1-yl 2-(diethoxyphosphoryl)acetate
    • CS-0046889
    • Allyl 2-diethoxyphosphorylacetate
    • AKOS015913058
    • SCHEMBL2028174
    • W10736
    • AS-61251
    • Allyl 2-(diethoxyphosphoryl)acetate
    • MFCD00191710
    • Allyl P,P-diethylphosphonoacetate, 97%
    • USZLAMOPIWNLPH-UHFFFAOYSA-N
    • J-002912
    • 113187-28-3
    • MDL: MFCD00191710
    • Inchi: 1S/C9H17O5P/c1-4-7-12-9(10)8-15(11,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3
    • InChI Key: USZLAMOPIWNLPH-UHFFFAOYSA-N
    • SMILES: P(CC(=O)OCC=C)(=O)(OCC)OCC

Computed Properties

  • Exact Mass: 236.08100
  • Monoisotopic Mass: 236.08136064g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 9
  • Complexity: 241
  • 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: 0.8
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.12?g/mL?at 25?°C(lit.)
  • Boiling Point: 157-158?°C/10?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: n20/D 1.445(lit.)
  • PSA: 71.64000
  • LogP: 1.98170
  • Solubility: Not determined

Allyl Diethylphosphonoacetate Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

Allyl Diethylphosphonoacetate Pricemore >>

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Additional information on Allyl Diethylphosphonoacetate

Introduction to Allyl Diethylphosphonoacetate (CAS No. 113187-28-3)

Allyl Diethylphosphonoacetate, a compound with the chemical formula C?H??O?P and a CAS number of 113187-28-3, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound has garnered attention due to its unique structural properties and potential applications in various chemical syntheses and biological processes.

The molecular structure of Allyl Diethylphosphonoacetate consists of an allyl group attached to a diethylphosphonate moiety, which is further linked to an acetate group. This configuration imparts distinct reactivity and functionality, making it a valuable intermediate in the synthesis of more complex molecules. The presence of both phosphorus and oxygen atoms in its structure allows for diverse interactions with other biochemical entities, which has been explored in recent studies.

In recent years, there has been growing interest in the applications of phosphonate derivatives in pharmaceuticals due to their ability to act as chelating agents and modulators of enzyme activity. Allyl Diethylphosphonoacetate is no exception, and researchers have been investigating its potential role in drug development. One notable area of research involves its use as a precursor in the synthesis of protease inhibitors, which are crucial in treating various inflammatory and infectious diseases.

The compound's reactivity also makes it useful in the field of materials science, particularly in the development of novel polymers and coatings. The phosphonate group can form stable complexes with metal ions, leading to the creation of hybrid materials with enhanced properties. These materials have potential applications in catalysis, corrosion inhibition, and even in the construction of smart materials that can respond to environmental stimuli.

Recent studies have also explored the biological activity of derivatives of Allyl Diethylphosphonoacetate. For instance, modifications to its structure have led to compounds that exhibit inhibitory effects on certain enzymes implicated in cancer progression. The ability to fine-tune the molecular structure for specific biological activities highlights the versatility of this compound as a pharmacophore.

The synthesis of Allyl Diethylphosphonoacetate involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have been employed to achieve high yields and purity. These methods not only enhance the efficiency of production but also open up new possibilities for functionalizing the compound's structure.

In conclusion, Allyl Diethylphosphonoacetate (CAS No. 113187-28-3) is a multifaceted compound with significant potential in both pharmaceuticals and materials science. Its unique structural features and reactivity make it a valuable tool for researchers seeking to develop new drugs and advanced materials. As research continues to uncover new applications for this compound, its importance in scientific endeavors is likely to grow even further.

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