Methyl alpha-oxofuran-2-acetate

Base Information

• Chemical Name: Methyl alpha-oxofuran-2-acetate
• CAS No.: 33245-13-5
• Molecular Formula: C7H6 O4
• Molecular Weight: 154.122
• European Community (EC) Number: 251-425-5
• DSSTox Substance ID: DTXSID10954888
• Nikkaji Number: J319.514G
• Wikidata: Q82934321
• Mol file: 33245-13-5.mol

Synonyms:Methyl alpha-oxofuran-2-acetate;33245-13-5;methyl 2-(furan-2-yl)-2-oxoacetate;EINECS 251-425-5;methyl 2-furyl(oxo)acetate;SCHEMBL1233290;DTXSID10954888;Methyl (furan-2-yl)(oxo)acetate;Methyl 2-oxo-2-(2-furanyl)acetate;(2-Furyl)oxoacetic acid methyl ester;AKOS006328342;CS-0513736;AN-584/43417533

Chemical Property of Methyl alpha-oxofuran-2-acetate

Chemical Property:

• Vapor Pressure: 0.152mmHg at 25°C
• Melting Point: 39-40 °C
• Boiling Point: 214.9°Cat760mmHg
• Flash Point: 83.8°C
• PSA: 56.51000
• Density: 1.245g/cm³
• LogP: 0.63530
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 154.02660867
• Heavy Atom Count: 11
• Complexity: 175

Purity/Quality:

98%Min ^*data from raw suppliers

METHYL-ALPHA-OXOFURAN-2-ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)C1=CC=CO1

Technology Process of Methyl alpha-oxofuran-2-acetate

There total 11 articles about Methyl alpha-oxofuran-2-acetate 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: 89.0%

furan-2-yl-oxo-acetic acid (1467-70-5) → furan-2-yl-oxo-acetic acid methyl ester (33245-13-5)

Guidance literature:

furan-2-yl-oxo-acetic acid; With thionyl chloride; at 20 ℃; for 2.08333h; Heating / reflux;

With hydrogenchloride; In diethyl ether; water; at 20 ℃; for 0.75h;

Reference yield: 73.0%

1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) + methanol (67-56-1) → furan-2-yl-oxo-acetic acid methyl ester (33245-13-5)

Guidance literature:

1-(2-furyl)-1-ethanone; With pyridine; selenium(IV) oxide; at 100 ℃; for 15h; Inert atmosphere;

methanol; With thionyl chloride; at 20 ℃; Cooling with ice; Molecular sieve;

With perchloric acid; water; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2009.09.076

Reference yield: 65.0%

methanol (67-56-1) + furan-2-yl-oxo-acetic acid (1467-70-5) → furan-2-yl-oxo-acetic acid methyl ester (33245-13-5)

Guidance literature:

upstream raw materials:

furan

monomethyl oxalyl chloride

methanol

furan-2-yl-oxo-acetic acid

Downstream raw materials:

6-benzyloxy-1-furan-2-yl-2,3,4,9-tetrahydro-1H-β-carboline-1-carboxylic acid methyl ester

methyl 2-(furan-2-yl)-2-hydroxy-3-(2-phenyloxazol-5-yl)propanoate

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