Ethyl 4-phenoxybenzoylformate

Base Information

• Chemical Name: Ethyl 4-phenoxybenzoylformate
• CAS No.: 62936-33-8
• Molecular Formula: C16H14O4
• Molecular Weight: 270.285
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50374541
• Wikidata: Q82163158
• Mol file: 62936-33-8.mol

Synonyms:Ethyl 4-phenoxybenzoylformate;62936-33-8;ethyl 2-oxo-2-(4-phenoxyphenyl)acetate;ETHYL4-PHENOXYBENZOYLFORMATE;ethyl 4-phenoxyphenylglyoxylate;SCHEMBL4739675;DTXSID50374541;CAQQVRYFFIRVIX-UHFFFAOYSA-N;AKOS010879522;FS-5051;4-phenoxyphenyl glyoxylic acid ethyl ester;CS-0331549;oxo-(4-phenoxyphenyl)acetic acid ethyl ester

Chemical Property of Ethyl 4-phenoxybenzoylformate

Chemical Property:

• Vapor Pressure: 2.71E-06mmHg at 25°C
• Boiling Point: 390.1oC at 760 mmHg
• Flash Point: 172.1oC
• PSA: 52.60000
• Density: 1.185g/cm3
• LogP: 3.22470
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 270.08920892
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

98% ^*data from raw suppliers

Ethyl4-phenoxybenzoylformate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Technology Process of Ethyl 4-phenoxybenzoylformate

There total 3 articles about Ethyl 4-phenoxybenzoylformate 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: 93.0%

diphenylether (101-84-8) + Ethyl oxalyl chloride (4755-77-5) → ethyl 2-oxo-2-(4-phenoxyphenyl)acetate (62936-33-8)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 5 ℃; for 3h;

Reference yield:

4-Bromodiphenyl ether (101-55-3) + oxalic acid diethyl ester (95-92-1) → ethyl 2-oxo-2-(4-phenoxyphenyl)acetate (62936-33-8)

Guidance literature:

4-Bromodiphenyl ether; With magnesium; In tetrahydrofuran; at 20 ℃; for 1h;

oxalic acid diethyl ester; In tetrahydrofuran; at -78 - -10 ℃; for 1h;

DOI:10.1002/anie.201400147

Reference yield:

→ ethyl 2-oxo-2-(4-phenoxyphenyl)acetate (62936-33-8)

Guidance literature:

/BRN= 3284876/;

upstream raw materials:

diphenylether

Ethyl oxalyl chloride

4-Bromodiphenyl ether

oxalic acid diethyl ester

Downstream raw materials:

2-oxo-2-(4-phenoxyphenyl)acetyl chloride

N-(3-(N,N-dimethylaminocarbonylphenyl))-2-oxo-2-(4-phenoxyphenyl)acetamide

(4-Phenoxy)phenylglyoxylsaeure

C₁₆H₁₅NO₄