Phosphoric acid, (4-chlorophenyl)cyanomethyl diethyl ester

Base Information

• Chemical Name: Phosphoric acid, (4-chlorophenyl)cyanomethyl diethyl ester
• CAS No.: 113348-33-7
• Molecular Formula: C12H15ClNO4P
• Molecular Weight: 303.682
• DSSTox Substance ID: DTXSID10469967
• Nikkaji Number: J2.284.269B
• Mol file: 113348-33-7.mol

Synonyms:113348-33-7;Phosphoric acid, (4-chlorophenyl)cyanomethyl diethyl ester;DTXSID10469967

Chemical Property of Phosphoric acid, (4-chlorophenyl)cyanomethyl diethyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 303.0427227
• Heavy Atom Count: 19
• Complexity: 352

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphoric acid, (4-chlorophenyl)cyanomethyl diethyl ester

There total 1 articles about Phosphoric acid, (4-chlorophenyl)cyanomethyl 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: 94.0%

diethyl cyanophosphonate (2942-58-7) + 4-chlorobenzaldehyde (104-88-1) → phosphoric acid (4-chlorophenyl)(cyano)methyl ester diethyl ester (113348-33-7)

Guidance literature:

With lithium cyanide; In tetrahydrofuran; Ambient temperature;

Reference yield: 85.0%

methyl methacrylate (97-63-2,9003-42-3) + phosphoric acid (4-chlorophenyl)(cyano)methyl ester diethyl ester (113348-33-7) → (Z)-ethyl-2-cyano-1-methyl-2-p-chlorophenylcyclopropanecarboxylate (113348-36-0)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h;

Reference yield: 78.0%

benzaldehyde (100-52-7) + phosphoric acid (4-chlorophenyl)(cyano)methyl ester diethyl ester (113348-33-7) → Phosphoric acid 2-(4-chloro-phenyl)-2-cyano-2-hydroxy-1-phenyl-ethyl ester diethyl ester (123360-90-7)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; acetic acid; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h;

upstream raw materials:

diethyl cyanophosphonate

4-chlorobenzaldehyde

Downstream raw materials:

(Z)-ethyl-2-cyano-1-methyl-2-p-chlorophenylcyclopropanecarboxylate

p-chlorobenzoin

4-chloro-O-diethylphosphonobenzoin

Phosphoric acid 2-(4-chloro-phenyl)-2-cyano-2-hydroxy-1-phenyl-ethyl ester diethyl ester