Diethyl phenylthiomethylphosphonate

Base Information

• Chemical Name: Diethyl phenylthiomethylphosphonate
• CAS No.: 38066-16-9
• Molecular Formula: C11H17O3PS
• Molecular Weight: 260.294
• Hs Code.: 2931900090
• European Community (EC) Number: 253-770-7,694-018-1
• NSC Number: 202497
• UNII: 74AD52AVZ9
• DSSTox Substance ID: DTXSID90191476
• Nikkaji Number: J294.588F
• Wikidata: Q72462106
• Mol file: 38066-16-9.mol

Synonyms:38066-16-9;Diethyl phenylthiomethylphosphonate;diethoxyphosphorylmethylsulfanylbenzene;DIethylphenYLTHIOMETHYLPHOSPHONATE;Diethyl ((phenylthio)methyl)phosphonate;Phosphonic acid, [(phenylthio)methyl]-, diethyl ester;Diethyl [(phenylthio)methyl]phosphonate;EINECS 253-770-7;NSC-202497;diethyl [(phenylsulfanyl)methyl]phosphonate;1190788-52-3;Diethyl (phenylsulfanyl)methylphosphonate;SCHEMBL722868;74AD52AVZ9;Phosphonic acid, P-[(phenylthio)methyl]-, diethyl ester;diethyl-phenylthiomethylphosphonate;DTXSID90191476;Diethyl phenylthiomethanephosphonate;Diethyl methylthiobenzyl phosphonate;MFCD00015130;NSC202497;AKOS017343404;NSC 202497;AS-62470;Diethyl (phenylsulfanyl)methylphosphonate #;Phenylthiomethylphosphonic acid diethyl ester;CS-0343253;FT-0605378;[(Phenylthio)methyl]phosphonic acid diethyl ester;Phenylsulfanylmethyl-phosphonic acid diethyl ester

Chemical Property of Diethyl phenylthiomethylphosphonate

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 8.09E-05mmHg at 25°C
• Refractive Index: 1.53-1.533
• Boiling Point: 351.9 °C at 760 mmHg
• Flash Point: 166.6 °C
• PSA: 70.64000
• Density: 1.15 g/cm³
• LogP: 4.00230
• Solubility.: Difficult to mix.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 260.06360257
• Heavy Atom Count: 16
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Diethyl phenylthiomethylphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CSC1=CC=CC=C1)OCC
• Uses: Diethyl phenylthiomethylphosphonate is used to produce Diethylphosphorylmethylphenylsulfoxid, Chemical reagents, pharmaceutical research, pharmaceutical intermediates.

Technology Process of Diethyl phenylthiomethylphosphonate

There total 18 articles about Diethyl phenylthiomethylphosphonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

phenylthiomethyl chloride (7205-91-6) + triethyl phosphite (122-52-1) → diethyl [(phenylthio)methyl]phosphonate (38066-16-9)

Guidance literature:

for 24h; Heating;

Reference yield: 95.0%

Diethyl chloro-(phenylthio)-methanephosphonate (59664-75-4) → diethyl [(phenylthio)methyl]phosphonate (38066-16-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; for 1h; Heating;

Reference yield: 92.0%

diethyl iodomethanephosphonate (10419-77-9) + thiophenol (108-98-5) → diethyl [(phenylthio)methyl]phosphonate (38066-16-9)

Guidance literature:

thiophenol; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.5h; Inert atmosphere;

diethyl iodomethanephosphonate; In tetrahydrofuran; mineral oil; at 0 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c1cc16178d

upstream raw materials:

diethyl chloromethylphosphonate

sodium thiophenolate

phenylthiomethyl chloride

triethyl phosphite

Downstream raw materials:

(1-Phenylsulfanyl-cyclopentyl)-phosphonic acid diethyl ester

2-(3-nitrophenyl)-2-phenylvinyl phenyl sulfide

diethyl 4-benzoyl-2-nitrobenzylphosphonate

diethyl 2-benzoyl-4-nitrobenzylphosphonate

Refernces

• 1、 -. "Organic material with high photoelectric property and preparation method thereof". Paragraph 0058; 0066-0068. . Retrieved 2021/09/21.
• 2、 Song, Zi-Long,Hou, Yanan,Bai, Feifei,Fang, Jianguo. "Generation of potent Nrf2 activators via tuning the electrophilicity and steric hindrance of vinyl sulfones for neuroprotection". . . Retrieved 2020/12/21.