5-Ethylthiophene-3-carboxylic acid

Base Information

• Chemical Name: 5-Ethylthiophene-3-carboxylic acid
• CAS No.: 19156-51-5
• Molecular Formula: C7H8O2S
• Molecular Weight: 156.20200
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00393646
• Wikidata: Q82192479
• ChEMBL ID: CHEMBL4292062
• Mol file: 19156-51-5.mol

Synonyms:5-ethylthiophene-3-carboxylic acid;19156-51-5;5-ETHYL-3-THIOPHENECARBOXYLIC ACID;5-Ethyl-thiophene-3-carboxylic acid;CHEMBL4292062;MFCD03419849;3-Thiophenecarboxylic acid, 5-ethyl-;SCHEMBL352306;DTXSID00393646;WGPALAIKGVKNGT-UHFFFAOYSA-N;BBL015797;BDBM50467713;STK301289;AKOS000302010;NCGC00324329-01;AS-36614;BB 0259473;CS-0152525;FT-0678480;EN300-83617;5-Ethyl-3-thiophenecarboxylic acid, AldrichCPR;AB01318762-02;A880370

Chemical Property of 5-Ethylthiophene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00126mmHg at 25°C
• Boiling Point: 286.1oC at 760 mmHg
• Flash Point: 126.8oC
• PSA: 65.54000
• Density: 1.257g/cm3
• LogP: 2.00870
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• 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:

97% ^*data from raw suppliers

5-Ethylthiophene-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CS1)C(=O)O

Technology Process of 5-Ethylthiophene-3-carboxylic acid

There total 4 articles about 5-Ethylthiophene-3-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:

5-ethyl-thiophene-3-carboxylic acid ethyl ester (19163-51-0) → 5-ethyl-thiophene-3-carboxylic acid (19156-51-5)

Guidance literature:

5-ethyl-thiophene-3-carboxylic acid ethyl ester; With potassium hydroxide; water; In isopropyl methanesulfonate; for 1h;

With hydrogenchloride; water; pH=7;

Reference yield:

5-(1-semicarbazono-ethyl)-thiophene-3-carboxylic acid ethyl ester (99168-64-6) → 5-ethyl-thiophene-3-carboxylic acid (19156-51-5)

Guidance literature:

With sodium hydroxide; ethylene glycol;

Reference yield:

thiophene-3-carboxylic acid ethyl ester (5751-80-4) → 5-ethyl-thiophene-3-carboxylic acid (19156-51-5)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminium chloride; carbon disulfide

3: ethylene glycol; sodium hydroxide

With carbon disulfide; sodium hydroxide; aluminium trichloride; ethylene glycol;

upstream raw materials:

5-(1-semicarbazono-ethyl)-thiophene-3-carboxylic acid ethyl ester

thiophene-3-carboxylic acid ethyl ester

5-acetyl-thiophene-3-carboxylic acid ethyl ester

5-ethyl-thiophene-3-carboxylic acid ethyl ester

Downstream raw materials:

5-Ethylthiophene-3-carbonyl chloride

C₁₄H₁₁BrO₂S