Phosphonic acid, [cyano(4-methylphenyl)methyl]-, diethyl ester

Base Information

• Chemical Name: Phosphonic acid, [cyano(4-methylphenyl)methyl]-, diethyl ester
• CAS No.: 87361-70-4
• Molecular Formula: C13H18NO3P
• Molecular Weight: 267.265
• DSSTox Substance ID: DTXSID00476221
• Nikkaji Number: J337.243J

Synonyms:Phosphonic acid, [cyano(4-methylphenyl)methyl]-, diethyl ester;87361-70-4;DTXSID00476221

Chemical Property of Phosphonic acid, [cyano(4-methylphenyl)methyl]-, diethyl ester

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 267.10243043
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C#N)C1=CC=C(C=C1)C)OCC

Technology Process of Phosphonic acid, [cyano(4-methylphenyl)methyl]-, diethyl ester

There total 5 articles about Phosphonic acid, [cyano(4-methylphenyl)methyl]-, diethyl ester 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: 82.0%

diethyl 1-cyanomethylphosphonate (2537-48-6) + 4-tolyl iodide (624-31-7) → diethyl α-cyano-p-methylbenzylphosphonate (87361-70-4)

Guidance literature:

With sodium hydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; for 1h; Heating;

DOI:10.1248/cpb.38.1513

Reference yield: 42.0%

diethyl 1-cyanomethylphosphonate (2537-48-6) + C7H7F*C5H5(1-)*F6FeP(1+) → diethyl α-cyano-p-methylbenzylphosphonate (87361-70-4)

Guidance literature:

diethyl 1-cyanomethylphosphonate; C₇H₇F*C₅H₅^(1-)*F₆FeP⁽¹⁺⁾; With caesium carbonate; In tetrahydrofuran;

With 9,10-phenanthroline; In acetonitrile; for 4.5h;

DOI:10.1023/A:1015306825816

Reference yield:

→ diethyl α-cyano-p-methylbenzylphosphonate (87361-70-4)

Guidance literature:

With 1,10-Phenanthroline; In acetonitrile; Irradiation;

DOI:10.1016/S0040-4039(01)00717-1

upstream raw materials:

diethyl 1-cyanomethylphosphonate

4-tolyl iodide

4-methyl-β-nitrostyrene

diethyl trimethylsilyl phosphate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 87361-70-4 Phosphonic acid, [cyano(4-methylphenyl)methyl]-, diethyl ester

Send

Send

Metric Ton KG G Pound L ML

Send

Send