Ethyl 3-methoxybenzoylformate

Base Information

• Chemical Name: Ethyl 3-methoxybenzoylformate
• CAS No.: 86358-29-4
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2918990090
• European Community (EC) Number: 675-591-7
• DSSTox Substance ID: DTXSID60374532
• Nikkaji Number: J1.865.288I
• Wikidata: Q82163151
• Mol file: 86358-29-4.mol

Synonyms:Ethyl 3-methoxybenzoylformate;86358-29-4;ethyl 2-(3-methoxyphenyl)-2-oxoacetate;3-Methoxy-oxo-benzeneacetic acid ethyl ester;SCHEMBL2007841;DTXSID60374532;DWLYVLJKLZPOAW-UHFFFAOYSA-N;Ethyl(3-methoxyphenyl)(oxo)acetate;Ethyl (3-methoxyphenyl)(oxo)acetate;MFCD01319608;AKOS015996187;ethyl2-(3-methoxyphenyl)-2-oxoacetate;FS-4209;BP-11148;ethyl 3-methoxybenzoylformate, AldrichCPR;(3-methoxyphenyl)glyoxylic acid ethyl ester;CS-0342978;EN300-126965;alpha-Oxo-3-methoxybenzeneacetic acid ethyl ester

Chemical Property of Ethyl 3-methoxybenzoylformate

Chemical Property:

• Vapor Pressure: 0.000405mmHg at 25°C
• Boiling Point: 107°C/0.1mm
• Flash Point: 138.7°C
• PSA: 52.60000
• Density: 1.147g/cm³
• LogP: 1.44100
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-methoxybenzoylformate ^*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(=CC=C1)OC

Technology Process of Ethyl 3-methoxybenzoylformate

There total 16 articles about Ethyl 3-methoxybenzoylformate 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%

ethyl α-diazo-α-(3-methoxyphenyl)acetate → ethyl 2‐(3‐methoxyphenyl)‐2‐oxoacetate (86358-29-4)

Guidance literature:

With copper nanoparticles on activated carbon; oxygen; In 1,2-dichloro-ethane; at 30 ℃; for 36h; Schlenk technique;

DOI:10.1039/d1ob00811k

Reference yield: 75.0%

ethyl 2-(butylthio)-2-(3-methoxyphenyl)acetate → ethyl 2‐(3‐methoxyphenyl)‐2‐oxoacetate (86358-29-4)

Guidance literature:

With copper diacetate; In acetic acid; at 80 ℃; for 34h;

DOI:10.1016/j.tetlet.2017.03.069

Reference yield: 75.0%

ethanol (64-17-5) + 3-(dimethylamino)-1-(3-methoxyphenyl)prop-2-en-1-one (58316-11-3,62041-46-7) → ethyl 2‐(3‐methoxyphenyl)‐2‐oxoacetate (86358-29-4)

Guidance literature:

With acetic acid; Rose Bengal lactone; at 20 ℃; for 24h; chemoselective reaction; Molecular sieve; Photolysis;

DOI:10.1039/c9gc01357a

upstream raw materials:

cyano(3-methoxyphenyl)methyl ethyl carbonate

(3-methoxyphenyl)magnesium bromide

oxalic acid diethyl ester

3-methoxyphenylboronic acid

Downstream raw materials:

2-(3-methoxyphenyl)glyoxylic acid