Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate

Base Information

• Chemical Name: Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate
• CAS No.: 71511-66-5
• Molecular Formula: C17H20ClN2O5P
• Molecular Weight: 398.783
• DSSTox Substance ID: DTXSID001161550
• Nikkaji Number: J1.998.280G
• ChEMBL ID: CHEMBL1334671

Synonyms:ChemDiv1_020566;MLS000727799;CHEMBL1334671;HMS645G18;DTXSID001161550;HMS2697K03;SMR000306496;EU-0036648;SR-01000419052;Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate;SR-01000419052-1;Diethyl (4-chlorophenyl)(4-nitroanilino)methylphosphonate #;diethyl (4-chlorophenyl)[(4-nitrophenyl)amino]methylphosphonate;[alpha-(4-Nitroanilino)-4-chlorobenzyl]phosphonic acid diethyl ester;diethyl {(4-chlorophenyl)[(4-nitrophenyl)amino]methyl}phosphonate;Diethyl P-[(4-chlorophenyl)[(4-nitrophenyl)amino]methyl]phosphonate;71511-66-5

Chemical Property of Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 398.0798364
• Heavy Atom Count: 26
• Complexity: 478

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(C(C1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)[N+](=O)[O-])OCC

Technology Process of Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate

There total 6 articles about Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate 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: 96.0%

4-chlorobenzaldehyde (104-88-1) + 4-nitro-aniline (100-01-6,104810-17-5) + phosphonic acid diethyl ester (762-04-9) → diethyl (4-nitrophenylamino)(4-chlorophenyl)methylphosphonate (71511-66-5)

Guidance literature:

With cadmium(II) perchlorate hydrate; at 40 ℃; for 0.416667h; Neat (no solvent);

DOI:10.1016/j.catcom.2011.10.025

Reference yield: 92.0%

4-chlorobenzaldehyde (104-88-1) + phosphonic acid diethyl ester (762-04-9) + 3-nitro-aniline (99-09-2) → diethyl (4-nitrophenylamino)(4-chlorophenyl)methylphosphonate (71511-66-5)

Guidance literature:

With xanthan sulfuric acid; at 60 ℃; for 0.833333h; Neat (no solvent);

DOI:10.1002/jccs.201000194

Reference yield: 85.0%

(4-chlorobenzylidene)(4-nitrophenyl)amine (5340-14-7) + phosphonic acid diethyl ester (762-04-9) → diethyl (4-nitrophenylamino)(4-chlorophenyl)methylphosphonate (71511-66-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 60 ℃; for 24h;

DOI:10.1039/c5ra14393d

upstream raw materials:

4-chlorobenzaldehyde

phosphonic acid diethyl ester

3-nitro-aniline

4-nitro-aniline

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