Ethyl 5-(4-chlorophenyl)-2-methyl-3-furoate

Base Information

• Chemical Name: Ethyl 5-(4-chlorophenyl)-2-methyl-3-furoate
• CAS No.: 111787-84-9
• Molecular Formula: C14H13 Cl O3
• Molecular Weight: 264.708
• DSSTox Substance ID: DTXSID20372453
• Nikkaji Number: J3.359.437B
• Wikidata: Q82160171
• Mol file: 111787-84-9.mol

Synonyms:ethyl 5-(4-chlorophenyl)-2-methyl-3-furoate;111787-84-9;ethyl 5-(4-chlorophenyl)-2-methylfuran-3-carboxylate;3-Furancarboxylic acid,5-(4-chlorophenyl)-2-methyl-, ethyl ester;Maybridge3_006956;SCHEMBL3105153;DTXSID20372453;WIUJNWZGQYNXCF-UHFFFAOYSA-N;HMS1450M04;CCG-251611;IDI1_018343;2-Methyl-5-(4-chlorophenyl)furan-3-carboxylic acid ethyl ester

Chemical Property of Ethyl 5-(4-chlorophenyl)-2-methyl-3-furoate

Chemical Property:

• PSA: 39.44000
• LogP: 4.08510
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 264.0553220
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

ETHYL 5-(4-CHLOROPHENYL)-2-METHYLFURAN-3-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 5-(4-chlorophenyl)-2-methyl-3-furoate

There total 13 articles about Ethyl 5-(4-chlorophenyl)-2-methyl-3-furoate 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: 95.0%

ethyl iodide (75-03-6) + 2-methyl-5-(4-chlorophenyl)-furan-3-carboxylic acid (111787-89-4) → ethyl 5-(4-chlorophenyl)-2-methylfuran-3-carboxylate (111787-84-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield: 91.0%

ethyl 5-acetamido-5-(4-chlorophenyl)-2-methyl-4,5-dihydrofuran-3-carboxylate → ethyl 5-(4-chlorophenyl)-2-methylfuran-3-carboxylate (111787-84-9)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 100 ℃; for 2h;

DOI:10.1021/ol503009f

Reference yield: 82.0%

4-n-chlorophenylacetylene (873-73-4) + ethyl acetoacetate (141-97-9) → ethyl 5-(4-chlorophenyl)-2-methylfuran-3-carboxylate (111787-84-9)

Guidance literature:

With potassium acetate; silver carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ja301153k

upstream raw materials:

2-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-oxo-butyric acid ethyl ester

ethyl acetoacetate

4-chlorobenzoylmethyl bromide

ethyl iodide

Downstream raw materials:

[5-(4-Chlorophenyl)-2-methyl-furan-3-yl]methanol

2-methyl-5-(4-chlorophenyl)-furan-3-carboxylic acid