Cas no 54731-72-5 (Dimethyl (2-hydroxyethyl)phosphonate)

Dimethyl (2-hydroxyethyl)phosphonate is a phosphonate ester with the molecular formula C?H??O?P. It features both a hydroxyl group and phosphonate functionality, making it a versatile intermediate in organic synthesis and industrial applications. The compound is particularly valued for its ability to act as a precursor in the production of flame retardants, plasticizers, and corrosion inhibitors. Its bifunctional structure allows for further derivatization, enabling modifications to enhance performance in specific formulations. The product exhibits good solubility in polar solvents, facilitating its use in aqueous and organic reaction systems. Its stability under typical processing conditions ensures reliable performance in industrial processes.
Dimethyl (2-hydroxyethyl)phosphonate structure
54731-72-5 structure
Product Name:Dimethyl (2-hydroxyethyl)phosphonate
CAS No:54731-72-5
MF:C4H11O4P
MW:154.101502656937
MDL:MFCD00043376
CID:56638
PubChem ID:87571143
Update Time:2025-06-08

Dimethyl (2-hydroxyethyl)phosphonate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl (2-hydroxyethyl)phosphonate
    • 2-dimethoxyphosphorylethanol
    • DiMethyl 2-hydroxyethylphosphonate
    • (2-Hydroxyethyl)phosphonic Acid Dimethyl Ester
    • Phosphonicacid, (2-hydroxyethyl)-, dimethyl ester (9CI)
    • Dimethyl (b-hydroxyethyl)phosphonate
    • Dimethyl 2-phosphonoethanol
    • (2-Hydroxyethyl)phosphonic aciddimethyl ester
    • 2-Hydroxyethylphosphonic Acid Dimethyl Ester
    • Dimethyl(2-hydroxyethyl)phosphonate
    • 2-(Diethylphosphono)ethan-1-ol
    • TZPPDWDHNIMTDQ-UHFFFAOYSA-
    • hydroxyethyldimethylphosphonic acid
    • TZPPDWDHNIMTDQ-UHFFFAOYSA-N
    • 2-(Dimeth
    • FT-0612605
    • AKOS015915772
    • A851545
    • EINECS 259-310-1
    • 2-hydroxyethylphosphonic acid dimethylester
    • (2-hydroxy-ethyl)-phosphonic acid dimethyl ester
    • SCHEMBL874478
    • DTXSID20203197
    • H0779
    • InChI=1/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3
    • MFCD00043376
    • 54731-72-5
    • DIMETHYL2-HYDROXYETHYLPHOSPHONATE
    • NS00033187
    • Dimethyl(2-hydroxyethyl) Phosphonate
    • 2-hydroxyethane-phosphonic acid dimethyl ester
    • DTXCID20125688
    • 259-310-1
    • MDL: MFCD00043376
    • Inchi: 1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3
    • InChI Key: TZPPDWDHNIMTDQ-UHFFFAOYSA-N
    • SMILES: P(CCO)(=O)(OC)OC

Computed Properties

  • Exact Mass: 154.03900
  • Monoisotopic Mass: 154.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 105
  • 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
  • Topological Polar Surface Area: 55.8
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -1.2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.247
  • Boiling Point: 97°C/6mmHg(lit.)
  • Flash Point: 192 oC
  • Refractive Index: 1.443-1.446
  • Water Partition Coefficient: dissolution
  • PSA: 65.57000
  • LogP: 0.46460
  • Solubility: Soluble in water

Dimethyl (2-hydroxyethyl)phosphonate Security Information

Dimethyl (2-hydroxyethyl)phosphonate Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Dimethyl (2-hydroxyethyl)phosphonate Pricemore >>

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Dimethyl (2-hydroxyethyl)phosphonate Related Literature

Additional information on Dimethyl (2-hydroxyethyl)phosphonate

Dimethyl (2-hydroxyethyl)phosphonate: A Comprehensive Overview

Dimethyl (2-hydroxyethyl)phosphonate, with the CAS number 54731-72-5, is a significant compound in the field of chemical and pharmaceutical research. This compound, characterized by its unique structural and functional properties, has garnered considerable attention due to its potential applications in various scientific domains. The dimethyl (2-hydroxyethyl)phosphonate molecule, featuring a phosphonate group and hydroxyl-substituted ethyl chains, exhibits remarkable versatility in chemical reactions and biological interactions.

The phosphonate group in this compound plays a crucial role in its reactivity and stability. Phosphonates are known for their ability to act as chelating agents, which can form stable complexes with metal ions. This property makes dimethyl (2-hydroxyethyl)phosphonate a valuable candidate for applications in coordination chemistry and catalysis. Furthermore, the presence of the hydroxyl group enhances its solubility in both polar and non-polar solvents, broadening its utility in industrial and laboratory settings.

In recent years, the study of phosphonate derivatives has seen significant advancements, particularly in the context of their biological activities. Research has demonstrated that compounds containing phosphonate groups exhibit a range of pharmacological effects. For instance, studies have shown that certain phosphonates possess anti-inflammatory and anti-cancer properties. The dimethyl (2-hydroxyethyl)phosphonate structure, with its ability to interact with biological targets, makes it an attractive scaffold for drug design.

The synthesis of dimethyl (2-hydroxyethyl)phosphonate involves multi-step organic reactions, typically starting from readily available precursors such as dimethyl phosphite and 2-aminoethanol. The reaction pathway often includes condensation, hydrolysis, and esterification steps to achieve the desired product. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making it feasible to explore its applications on a larger scale.

The chemical reactivity of dimethyl (2-hydroxyethyl)phosphonate allows it to participate in various transformations useful for material science applications. For example, it can be used to modify polymers or surfaces to enhance their functional properties. The ability to incorporate phosphonate groups into materials can lead to improved durability and resistance to degradation. This has implications for the development of new coatings, adhesives, and other industrial materials.

Beyond its chemical properties, the biological relevance of dimethyl (2-hydroxyethyl)phosphonate has been explored in detail. Preclinical studies have indicated that this compound may have potential therapeutic benefits in treating various diseases. Its interaction with enzymes and receptors suggests that it could be used to modulate biological pathways associated with inflammation and cell proliferation. These findings have prompted further investigation into its pharmacological profile.

The environmental impact of using dimethyl (2-hydroxyethyl)phosphonate is also a critical consideration. Research has focused on evaluating its biodegradability and toxicity to ensure that its applications do not pose significant environmental risks. Studies have shown that under controlled conditions, this compound can be safely handled and disposed of without causing harm to ecosystems. This aligns with the growing emphasis on sustainable chemistry practices.

The future prospects for dimethyl (2-hydroxyethyl)phosphonate are promising, with ongoing research aiming to uncover new applications and improve existing ones. Collaborative efforts between chemists, biologists, and engineers are expected to drive innovation in this field. The development of novel derivatives and formulations will likely expand its utility across multiple industries.

In conclusion, dimethyl (2-hydroxyethyl)phosphonate, identified by the CAS number 54731-72-5, is a versatile compound with significant potential in both chemical synthesis and biological applications. Its unique structure and functional properties make it a valuable tool for researchers exploring new frontiers in pharmaceuticals, materials science, and environmental chemistry. As scientific understanding continues to evolve, the applications of this compound are expected to grow even further.

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