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2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine, with the chemical abstracts service number 434941-00-1, is a synthetic organic compound that holds significant value in the field of organic synthesis. This versatile molecule is characterized by its unique structure, which incorporates a pyrrolidine ring with a phenethyl group and a diethoxyphosphoryl moiety. The presence of these functional groups endows it with potential reactivity and selectivity in various chemical reactions, making it a promising candidate for the development of new organic compounds and materials.

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  • 434941-00-1 Structure
  • Basic information

    1. Product Name: 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine
    2. Synonyms: 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine;[2-(2-Phenylethyl)-2-pyrrolidinyl]phosphonic Acid Diethyl Ester;Diethyl (2-Phenethyl-pyrrolidin-2-yl)phosphonate
    3. CAS NO:434941-00-1
    4. Molecular Formula: C16H26NO3P
    5. Molecular Weight: 343
    6. EINECS: N/A
    7. Product Categories: Heterocycles;Intermediates;Spin Labeling Compounds
    8. Mol File: 434941-00-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: Dichloromethane, Ethanol, Ethyl Acetate, Methanol
    9. CAS DataBase Reference: 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine(434941-00-1)
    11. EPA Substance Registry System: 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine(434941-00-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 434941-00-1(Hazardous Substances Data)

434941-00-1 Usage

Uses

Used in Organic Synthesis:
2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine is utilized as a key intermediate in organic synthesis for the preparation of a wide range of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structural features allow it to participate in various types of chemical reactions, such as nucleophilic substitutions, cycloadditions, and rearrangements, enabling the synthesis of complex organic molecules with specific biological activities or material properties.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine is employed as a building block for the development of novel drug candidates. Its ability to form diverse chemical entities through organic synthesis makes it a valuable asset in the discovery and optimization of new therapeutic agents with improved efficacy, selectivity, and safety profiles.
Used in Agrochemical Industry:
2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine also finds application in the agrochemical industry, where it serves as a precursor for the synthesis of innovative pesticides and herbicides. Its unique reactivity and structural features can be harnessed to create new agrochemicals with enhanced performance, selectivity, and environmental compatibility.
Used in Specialty Chemicals:
In the realm of specialty chemicals, 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine is used as a versatile intermediate for the synthesis of high-value compounds with specific applications in various industries, such as materials science, fragrances, and dyes. Its potential to form a wide array of chemical products makes it an attractive option for the development of new specialty chemicals with unique properties and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 434941-00-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,3,4,9,4 and 1 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 434941-00:
(8*4)+(7*3)+(6*4)+(5*9)+(4*4)+(3*1)+(2*0)+(1*0)=141
141 % 10 = 1
So 434941-00-1 is a valid CAS Registry Number.

434941-00-1Relevant articles and documents

Synthesis, crystal structure, and ESR study of a novel phosphorylated lipophilic spin trap

Xu, Ying-Kai,Chen, Zhong-Wei,Sun, Jian,Liu, Ke,Chen, Wei,Shi, Wei,Wang, Hong-Mei,Liu, Yang

, p. 7624 - 7630 (2007/10/03)

In this article, the synthesis of a novel α-phosphorus-containing spin trap DEPPEPO [2-(diethoxyphosphoryl)-2-phenethyl-3,4-dihydro-2H-pyrrole-1-oxide] and the evaluation of its ability to spintrap radicals, especially superoxide and hydroxyl radicals, are described. Single crystal X-ray structure analysis reveals that there exist a lot of intramolecular nonbonded attractive interactions in the molecule. The phenethyl group is located away from the diethoxyphosphoryl group and the nitronyl plane, and only one face of the nitronyl plane is sterically hindered by the oxygen attached to the phosphorus with a double bond. The latter feature is responsible for the stereoselection of the free radical additions on the nitronyl moiety. The ability of DEPPEPO to trap the active superoxide anion radical generated in the HX/XO system and the stability of their spin adduct were investigated with that for DEPMPO. The half-life of DEPPEPO is about 13.4 min, and as a result, the DEPPEPO seems to be a promising lipophilic spin trap, perhaps in both in vitro and in vivo ESR investigation. Because DEPPEPO is a solid compound, it is quite easy to purify by recrystallization and to store the compound even at room temperature. In addition, an obvious increase in lipophilicity for DEPPEPO was found as a contribution of 2-substituted phenethyl.

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