Ethyl 3,5-dimethylbenzofuran-2-carboxylate

Base Information

• Chemical Name: Ethyl 3,5-dimethylbenzofuran-2-carboxylate
• CAS No.: 16817-31-5
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.252
• Hs Code.: 29321900
• ChEMBL ID: CHEMBL4441725
• DSSTox Substance ID: DTXSID60500410
• Nikkaji Number: J481.798B
• Wikidata: Q82351974
• Mol file: 16817-31-5.mol

Synonyms:Ethyl 3,5-dimethylbenzofuran-2-carboxylate;16817-31-5;ethyl 3,5-dimethyl-1-benzofuran-2-carboxylate;CHEMBL4441725;SCHEMBL19661983;DTXSID60500410;TQR0010;AKOS000359860;Ethyl3,5-dimethylbenzofuran-2-carboxylate;CS-0167791;FT-0687975;F20888;J-520830

Chemical Property of Ethyl 3,5-dimethylbenzofuran-2-carboxylate

Chemical Property:

• Boiling Point: 311.5±37.0 °C(Predicted)
• PSA: 39.44000
• Density: 1.093(59.0000℃)
• LogP: 3.22630
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 218.094294304
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl3,5-dimethylbenzofuran-2-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 7/8

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)C)C

Technology Process of Ethyl 3,5-dimethylbenzofuran-2-carboxylate

There total 7 articles about Ethyl 3,5-dimethylbenzofuran-2-carboxylate 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: 57.9%

5-methyl-2-hydroxyacetophenone (1450-72-2) + ethyl bromoacetate (105-36-2) → ethyl 3,5-dimethyl-1-benzofuran-2-carboxylate (16817-31-5)

Guidance literature:

With potassium carbonate; at 105 - 140 ℃; for 6h;

Reference yield: 40.0%

(2-acetyl-4-methylphenoxy)acetic acid ethyl ester (58335-85-6) → ethyl 3,5-dimethyl-1-benzofuran-2-carboxylate (16817-31-5) + 7-Methyl-benzo[b]oxepine-3,5-dione (77956-70-8) + (2S,3S)-3-Hydroxy-3,5-dimethyl-2,3-dihydro-benzofuran-2-carboxylic acid ethyl ester (142143-42-8,142143-43-9) + (2R,3S)-3-Hydroxy-3,5-dimethyl-2,3-dihydro-benzofuran-2-carboxylic acid ethyl ester (142143-42-8,142143-43-9)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; at 60 ℃; for 6h; Further byproducts given. Yields of byproduct given;

Reference yield: 4.0%

(2-acetyl-4-methylphenoxy)acetic acid ethyl ester (58335-85-6) → 3,5-dimethylbenzofuran (10410-35-2) + ethyl 3,5-dimethyl-1-benzofuran-2-carboxylate (16817-31-5) + 7-Methyl-benzo[b]oxepine-3,5-dione (77956-70-8) + (2R,3S)-3-Hydroxy-3,5-dimethyl-2,3-dihydro-benzofuran-2-carboxylic acid ethyl ester (142143-42-8,142143-43-9)

Guidance literature:

With sodium amide; In 1,4-dioxane; at 60 ℃; for 6h; Further byproducts given;

upstream raw materials:

sodium 4-methylphenoxide

ethyl 2-chloro-3-oxo-butyrate

p-cresol

(2-acetyl-4-methylphenoxy)acetic acid ethyl ester

Downstream raw materials:

(3,5-Dimethyl-benzofuran-2-yl)-(3-phenyl-ureido)-acetic acid

Benzoylamino-(3,5-dimethyl-benzofuran-2-yl)-acetic acid

3,5-dimethylbenzofuran-2-carbonyl chloride

3,5-dimethyl-1-benzofuran-2-carbaldehyde

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