Benzoyl diethyl phosphate

Base Information

• Chemical Name: Benzoyl diethyl phosphate
• CAS No.: 7334-48-7
• Molecular Formula: C11H15O5P
• Molecular Weight: 258.211
• DSSTox Substance ID: DTXSID90223569
• Nikkaji Number: J1.725.735H
• Wikidata: Q83102024
• Mol file: 7334-48-7.mol

Synonyms:Benzoyl diethyl phosphate;O,O-Diethyl O-benzoyl phosphate;Benzoic acid, anhydride with diethyl phosphate;BRN 2055366;BENZOIC ACID, ANHYDRIDE with DIETHYL HYDROGEN PHOSPHATE;7334-48-7;4-09-00-00948 (Beilstein Handbook Reference);SCHEMBL9333329;C11H15O5P;DTXSID90223569;Phosphoric acid diethylbenzoyl ester;C11-H15-O5-P;LS-36072

Chemical Property of Benzoyl diethyl phosphate

Chemical Property:

• Vapor Pressure: 0.000379mmHg at 25°C
• Boiling Point: 317.7°Cat760mmHg
• Flash Point: 159.7°C
• PSA: 71.64000
• Density: 1.208g/cm³
• LogP: 3.02450
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 258.06571057
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoyl diethyl phosphate

There total 5 articles about Benzoyl diethyl phosphate 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: 92.0%

diethyl tri-n-butylstannyl phosphate (2117-84-2) + benzoyl chloride (98-88-4) → benzoic (diethyl phosphoric) anhydride (7334-48-7)

Guidance literature:

In tetrachloromethane; Ambient temperature;

DOI:10.1021/ja00533a047

Reference yield: 91.0%

Diethyl phosphate (598-02-7) + benzoyl chloride (98-88-4) → benzoic (diethyl phosphoric) anhydride (7334-48-7)

Guidance literature:

With silver(l) oxide; In acetonitrile; at 20 ℃; for 5h;

Reference yield: 90.0%

diethyl chlorophosphate (814-49-3) + benzoic acid (65-85-0,8013-63-6) → benzoic (diethyl phosphoric) anhydride (7334-48-7)

Guidance literature:

With magnesium oxide; at 20 ℃; for 0.0833333h;

DOI:10.1081/SCC-120002412

upstream raw materials:

3-ethoxy-3-diethoxyphosphoryloxy-acrylic acid ethyl ester

benzoic acid

Diethyl phosphate

benzoyl chloride

Downstream raw materials:

N-benzoylpiperidine

N-methoxy-N-methylbenzamide

N-(p-methoxyphenyl)benzamide

N-(4-chlorophenyl)benzamide

Refernces

• 1、 Furuta, Toshiaki,Torigai, Hiromi,Osawa, Tomoko,Iwamura, Michiko. "Direct Esterification of Phosphates with Various Halides and its Application to Synthesis of cAMP Alkyl Triesters". . p. 3139 - 3142. Retrieved 2007/10/02.