Phosphonic acid, [2-(4-chlorophenyl)-2-oxoethyl]-, diethyl ester

Base Information

• Chemical Name: Phosphonic acid, [2-(4-chlorophenyl)-2-oxoethyl]-, diethyl ester
• CAS No.: 18276-82-9
• Molecular Formula: C12H16ClO4P
• Molecular Weight: 290.683
• DSSTox Substance ID: DTXSID90447809
• Nikkaji Number: J826.108C
• Wikidata: Q82266703
• Mol file: 18276-82-9.mol

Synonyms:18276-82-9;Phosphonic acid, [2-(4-chlorophenyl)-2-oxoethyl]-, diethyl ester;DTXSID90447809;4-Chlorophenacylphosphonic acid diethyl ester

Chemical Property of Phosphonic acid, [2-(4-chlorophenyl)-2-oxoethyl]-, diethyl ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 290.0474737
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphonic acid, [2-(4-chlorophenyl)-2-oxoethyl]-, diethyl ester

There total 29 articles about Phosphonic acid, [2-(4-chlorophenyl)-2-oxoethyl]-, 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: 85.0%

[2-(4-Chloro-phenyl)-2-(methoxycarbonyl-hydrazono)-ethyl]-phosphonic acid diethyl ester (103517-94-8) → diethyl 2-(p-chlorophenyl)-2-oxo-ethylphosphonate (18276-82-9)

Guidance literature:

With hydrogenchloride; acetone; for 3h; Ambient temperature;

DOI:10.1055/s-1985-31424

Reference yield: 81.0%

diethylphosphonoacetic acid (3095-95-2) + 4-chloro-benzoyl chloride (122-01-0) → diethyl 2-(p-chlorophenyl)-2-oxo-ethylphosphonate (18276-82-9)

Guidance literature:

With triethylamine; magnesium chloride; In acetonitrile; at 20 ℃; for 15h;

DOI:10.1080/00397910008087362

Reference yield: 79.0%

3-dimethylamino-1(4-chloro-phenyl)-2-propen-1-one (28587-05-5) + phosphonic acid diethyl ester (762-04-9) → diethyl 2-(p-chlorophenyl)-2-oxo-ethylphosphonate (18276-82-9)

Guidance literature:

With manganese triacetate; acetic acid; In 1,4-dioxane; at 80 ℃; for 12h; chemoselective reaction;

DOI:10.1021/acs.joc.7b02391

upstream raw materials:

diethyl chloromethylphosphonate

4-chlorobenzaldehyde

Diethyl methylphosphonate

4-chloro-benzoyl chloride

Downstream raw materials:

(2-Chloromethyl-cyclopropyl)-(4-chloro-phenyl)-methanone

C₁₅H₂₁ClNO₃P

C₁₅H₂₁ClNO₃P

C₁₅H₂₁ClNO₃P