3-Ethylthiophene-2-carboxylic acid

Base Information

• Chemical Name: 3-Ethylthiophene-2-carboxylic acid
• CAS No.: 74965-84-7
• Molecular Formula: C₇H₈O₂S
• Molecular Weight: 156.205
• European Community (EC) Number: 818-966-4
• DSSTox Substance ID: DTXSID40505685
• Nikkaji Number: J1.739.317K
• Wikidata: Q82360960
• Mol file: 74965-84-7.mol

Synonyms:3-ethylthiophene-2-carboxylic acid;74965-84-7;3-ETHYL-2-THIOPHENECARBOXYLIC ACID;3-Ethyl-thiophene-2-carboxylic acid;SCHEMBL2065269;3-ethylthiophene-2-carboxylicacid;DTXSID40505685;BSMFSESXBONEOI-UHFFFAOYSA-N;2-Thiophenecarboxylicacid,3-ethyl-;MFCD07776926;AKOS006229948;AT16411;SY177779;CS-0250489;FT-0722120;EN300-51081;AB01000544-01;F8889-5634;Z608482636;6-Methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)nicotinicacid

Chemical Property of 3-Ethylthiophene-2-carboxylic acid

Chemical Property:

• Boiling Point: 269.7±20.0 °C(Predicted)
• PKA: 3.66±0.10(Predicted)
• PSA: 65.54000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 2.00870
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.02450067
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

3-ethylthiophene-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(SC=C1)C(=O)O

Technology Process of 3-Ethylthiophene-2-carboxylic acid

There total 13 articles about 3-Ethylthiophene-2-carboxylic acid 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:

3-methyl-2-thiophenecarboxylic acid (23806-24-8) + methyl iodide (74-88-4) → 3,5-dimethyl-2-thiophenecarboxylic acid (65613-27-6) + 3-ethyl-2-thiophenecarboxylic acid (74965-84-7)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1021/jo01310a061

Reference yield:

methyl 3-ethylthiophene-2-carboxylate (189331-46-2) → 3-ethyl-2-thiophenecarboxylic acid (74965-84-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol;

Reference yield:

3-methyl-2-thiophenecarboxaldehdye (5834-16-2,699531-50-5) → 3-ethyl-2-thiophenecarboxylic acid (74965-84-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Jones reagent

2: LDA / tetrahydrofuran / 1 h / 0 °C

With jones reagent; lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1021/jo01310a061

upstream raw materials:

2-methyl-3-ethylthiophene

2-bromo-3-ethylthiophene

carbon dioxide

3-methyl-2-thiophenecarboxylic acid

Downstream raw materials:

methyl 3-ethylthiophene-2-carboxylate

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