Ethyl 2-methylthiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-methylthiophene-3-carboxylate
• CAS No.: 19432-66-7
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.23
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70440292
• Nikkaji Number: J603.558B
• Wikidata: Q82256569
• Mol file: 19432-66-7.mol

Synonyms:ethyl 2-methylthiophene-3-carboxylate

Chemical Property of Ethyl 2-methylthiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 222.023 °C at 760 mmHg
• Flash Point: 88.077 °C
• PSA: 54.54000
• Density: 1.138 g/cm³
• LogP: 2.23320
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-Methylthiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC=C1)C

Technology Process of Ethyl 2-methylthiophene-3-carboxylate

There total 8 articles about Ethyl 2-methylthiophene-3-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: 68.0%

3-bromo-2-methylthiophene (30319-05-2) + chloroformic acid ethyl ester (541-41-3) → ethyl 4-bromo-5-methylthiophene-2-carboxylate (1256286-44-8) + ethyl 2-methyl-thiophene-3-carboxylate (19432-66-7)

Guidance literature:

3-bromo-2-methylthiophene; With magnesium; lithium chloride; In tetrahydrofuran; Reflux;

chloroformic acid ethyl ester; In tetrahydrofuran; at -20 - 0 ℃; Inert atmosphere;

DOI:10.1080/00397911.2011.606391

Reference yield: 64.0%

3-bromo-2-methylthiophene (30319-05-2) + chloroformic acid ethyl ester (541-41-3) → ethyl 2-methyl-thiophene-3-carboxylate (19432-66-7)

Guidance literature:

3-bromo-2-methylthiophene; With magnesium; lithium chloride; In tetrahydrofuran; Reflux;

chloroformic acid ethyl ester; In tetrahydrofuran; at -20 - 0 ℃; for 2.66667h; Inert atmosphere;

DOI:10.1080/00397911.2011.606391

Reference yield: 58.0%

ethyl 2-methyl-4,5-dihydrothiophene-3-carboxylate (32595-96-3) → ethyl 2-methyl-thiophene-3-carboxylate (19432-66-7)

Guidance literature:

With 2,3-dichloro-4,5-dicyanoquinone; In dichloromethane; at 40 ℃; for 2h;

upstream raw materials:

ethyl 2-methyl-4,5-dihydrothiophene-3-carboxylate

2-methylthiophene-5-carboxylic acid

ethyl iodide

2-Methylthiophene

Downstream raw materials:

2-methylthiophene-3-carboxylic acid

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