Cas no 15916-48-0 (Phosphonic acid,P-3-buten-1-yl-, diethyl ester)

Phosphonic acid, P-3-buten-1-yl-, diethyl ester is a specialized organophosphorus compound characterized by its reactive butenyl group and diethyl phosphonate moiety. This structure imparts versatility in synthetic applications, particularly as an intermediate in the preparation of phosphonate derivatives or as a precursor for further functionalization. The presence of the unsaturated butenyl chain enables participation in cross-coupling or polymerization reactions, while the diethyl ester group enhances solubility in organic solvents, facilitating handling in organic synthesis. Its stability under standard conditions and compatibility with various reaction conditions make it a practical choice for researchers in medicinal chemistry, materials science, and agrochemical development.
Phosphonic acid,P-3-buten-1-yl-, diethyl ester structure
15916-48-0 structure
Product Name:Phosphonic acid,P-3-buten-1-yl-, diethyl ester
CAS No:15916-48-0
MF:C8H17O3P
MW:192.192543745041
CID:121274
PubChem ID:24883099
Update Time:2025-09-28

Phosphonic acid,P-3-buten-1-yl-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,P-3-buten-1-yl-, diethyl ester
    • 4-diethoxyphosphorylbut-1-ene
    • 640522_ALDRICH
    • ACMC-20al97
    • CTK4C9979
    • Diethyl 3-butenylphosphonate
    • diethyl but-3-en-1-ylphosphonate
    • diethyl but-3-enyl-1-phosphonate
    • diethyl but-3-enylphosphonate
    • Diethyl-3-buten-1-phosphonat
    • I14-53506
    • P-3-Buten-1-yl-phosphonic acid diethyl ester
    • DTXSID70451247
    • Phosphonic acid, P-3-buten-1-yl-, diethyl ester
    • NUDGAPYPOAQVLP-UHFFFAOYSA-N
    • SCHEMBL212199
    • Diethyl 3-butenylphosphonate, 95%
    • AKOS015916207
    • J-009571
    • DIETHYL-3-BUTENYLPHOSPHONATE 95
    • 15916-48-0
    • diethylbut-3-en-1-ylphosphonate
    • G78729
    • MDL: MFCD06200726
    • Inchi: 1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4H,1,5-8H2,2-3H3
    • InChI Key: NUDGAPYPOAQVLP-UHFFFAOYSA-N
    • SMILES: P(CCC=C)(=O)(OCC)OCC

Computed Properties

  • Exact Mass: 192.09161
  • Monoisotopic Mass: 192.09153140g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 158
  • 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: 1.3
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.005?g/mL?at 25?°C(lit.)
  • Boiling Point: 55?°C/0.55?mmHg(lit.)
  • Flash Point: Fahrenheit: 221 ° f
    Celsius: 105 ° c
  • PSA: 35.53
  • Solubility: Not determined

Phosphonic acid,P-3-buten-1-yl-, diethyl ester Security Information

  • Symbol: GHS06
  • Signal Word:Danger
  • Hazard Statement: H301
  • Warning Statement: P301+P310
  • Hazardous Material transportation number:UN 2810 6.1/PG 3
  • WGK Germany:3
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T
  • Risk Phrases:R25
  • Safety Term:S45

Phosphonic acid,P-3-buten-1-yl-, diethyl ester Pricemore >>

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Additional information on Phosphonic acid,P-3-buten-1-yl-, diethyl ester

Phosphonic Acid, P-3-buten-1-yl-, Diethyl Ester (CAS No: 15916-48-0)

Phosphonic Acid, P-3-buten-1-yl-, Diethyl Ester, also known by its CAS number 15916-48-0, is a versatile compound with significant applications in various industries. This compound belongs to the class of organophosphorus compounds and is widely recognized for its unique chemical properties and reactivity. The molecule consists of a phosphonic acid group attached to a 3-butenyl chain, with two ethoxy groups acting as esterifying agents. Its structure allows for a wide range of applications, particularly in the fields of agriculture, pharmaceuticals, and materials science.

The synthesis of Phosphonic Acid, P-3-buten-1-yl-, Diethyl Ester typically involves the reaction of phosphorus trichloride with an appropriate alcohol in the presence of a base. The resulting intermediate is then subjected to further reactions to introduce the desired substituents. Recent advancements in synthetic methodologies have enabled the production of this compound with higher purity and efficiency, making it more accessible for industrial applications.

In agriculture, this compound has been extensively studied for its potential as a herbicide and plant growth regulator. Research indicates that it can effectively inhibit the growth of certain weeds without causing significant harm to crops. This property makes it a promising alternative to traditional herbicides, which often have adverse environmental impacts. Furthermore, studies have shown that Phosphonic Acid, P-3-buten-1-yl-, Diethyl Ester can enhance crop yield by improving nutrient uptake and stress resistance in plants.

The pharmaceutical industry has also taken interest in this compound due to its potential as an intermediate in drug synthesis. Its ability to form stable bonds with various functional groups makes it an ideal building block for constructing complex molecules with therapeutic properties. Recent research has explored its use in developing anti-inflammatory and anti-cancer agents, highlighting its versatility in medicinal chemistry.

In materials science, Phosphonic Acid, P-3-buten-1-yl-, Diethyl Ester has been utilized as a precursor for synthesizing advanced materials such as polymers and ceramics. Its ability to form strong bonds with metal ions enables the creation of materials with enhanced mechanical and thermal properties. This has led to its application in the development of high-performance composites and coatings used in aerospace and automotive industries.

Recent studies have also focused on the environmental impact of this compound. While it is generally considered non-toxic under normal conditions, improper disposal can lead to contamination of water bodies. Researchers are exploring methods to improve its biodegradability and develop eco-friendly production processes to minimize environmental risks.

In conclusion, Phosphonic Acid, P-3-buten-1-ylium diethyl ester, CAS No: 15916-48-0 is a multifaceted compound with a wide range of applications across various industries. Its unique chemical properties make it an invaluable tool in modern chemistry, offering solutions to challenges in agriculture, medicine, and materials science. As research continues to uncover new uses and improvements in its synthesis and application methods, this compound is poised to play an even greater role in shaping future technologies.

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