Ethyl 3-(diethoxyphosphoryl)benzoate

Base Information

• Chemical Name: Ethyl 3-(diethoxyphosphoryl)benzoate
• CAS No.: 26342-16-5
• Molecular Formula: C₁₃H₁₉O₅P
• Molecular Weight: 286.265
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID30517818
• Wikidata: Q82380022
• Mol file: 26342-16-5.mol

Synonyms:Ethyl 3-(diethoxyphosphoryl)benzoate;26342-16-5;ethyl 3-diethoxyphosphorylbenzoate;3-(DIETHOXY-PHOSPHORYL)-BENZOIC ACID ETHYL ESTER;Benzoic acid, 3-(diethoxyphosphinyl)-, ethyl ester;DTXSID30517818;MFCD03844386;AKOS017343357;Diethyl (3-ethoxycarbonylphenyl)phosphonate;3-(Diethoxy-phosphoryl)benzoic acid ethyl ester;J-520812

Chemical Property of Ethyl 3-(diethoxyphosphoryl)benzoate

Chemical Property:

• Boiling Point: 137-149 °C(Press: 0.3 Torr)
• PSA: 71.64000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 2.75470
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 286.09701070
• Heavy Atom Count: 19
• Complexity: 321

Purity/Quality:

97% ^*data from raw suppliers

DIETHYL-3-ETHOXYCARBONYLPHENYLPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=CC=C1)P(=O)(OCC)OCC

Technology Process of Ethyl 3-(diethoxyphosphoryl)benzoate

There total 4 articles about Ethyl 3-(diethoxyphosphoryl)benzoate 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:

3-carboxyphenylphosphonic acid (14899-31-1) → diethyl 3-(ethoxycarbonyl)phenylphosphonate (26342-16-5)

Guidance literature:

With phosphorus pentachloride; anschliessend mit Aethanol;

DOI:10.1021/ja01609a036

Reference yield:

3-iodobenzoic acid methyl ester (58313-23-8) + phosphonic acid diethyl ester (762-04-9) → diethyl 3-(ethoxycarbonyl)phenylphosphonate (26342-16-5)

Guidance literature:

With palladium diacetate; triethylamine; potassium iodide; In ethanol; at 100 - 200 ℃; Green chemistry;

DOI:10.1080/10426507.2021.2011884

Reference yield:

ethyl 3-(((trifluoromethyl)sulfonyl)oxy)benzoate (1006714-38-0) + phosphonic acid diethyl ester (762-04-9) → diethyl 3-(ethoxycarbonyl)phenylphosphonate (26342-16-5)

Guidance literature:

With palladium diacetate; triethylamine; potassium iodide; In ethanol; at 100 - 200 ℃; Green chemistry;

DOI:10.1080/10426507.2021.2011884

upstream raw materials:

3-carboxyphenylphosphonic acid

3-iodobenzoic acid methyl ester

phosphonic acid diethyl ester

ethyl 3-(((trifluoromethyl)sulfonyl)oxy)benzoate

Downstream raw materials:

3-diethoxyphosphoryl-benzoic acid