Ethyl 2-thiophenecarboxylate

Base Information

• Chemical Name: Ethyl 2-thiophenecarboxylate
• CAS No.: 2810-04-0
• Molecular Formula: C7H8O2S
• Molecular Weight: 156.205
• Hs Code.: 29349990
• European Community (EC) Number: 220-554-9
• NSC Number: 39455
• UNII: JE4R4NBV2R
• DSSTox Substance ID: DTXSID10182381
• Nikkaji Number: J151.106H
• Wikidata: Q72477459
• ChEMBL ID: CHEMBL595062
• Mol file: 2810-04-0.mol

Synonyms:Ethyl 2-thiophenecarboxylate;2810-04-0;Ethyl thiophene-2-carboxylate;Ethyl 2-thenoate;Ethyl2-thiophenecarboxylate;Thiophene-2-carboxylic acid ethyl ester;ethyl thiophen-2-carboxylate;2-Thiophenecarboxylic Acid Ethyl Ester;Thiophenecarboxylic acid, ethyl ester;JE4R4NBV2R;Ethyl-thiophene-2-carboxylate;CHEMBL595062;EINECS 220-554-9;NSC-39455;2-Thiophenecarboxylic acid, ethyl ester;UNII-JE4R4NBV2R;ethyl 2-thiophene carboxylate;ethyl-2-thiophene carboxylate;BIDD:GT0076;SCHEMBL422787;3-ethylthiophene-2-carboxylate;DTXSID10182381;Ethyl 2-thiophenecarboxylate, 95%;NSC39455;BDBM50304452;MFCD00005436;NSC 39455;AKOS008947879;CS-W016234;AC-18071;AS-59780;A5369;FT-0625796;T0904;EN300-16138;J-016971

Chemical Property of Ethyl 2-thiophenecarboxylate

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.124mmHg at 25°C
• Melting Point: 0oC ( 32.00oCF)
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 218.7 °C at 760 mmHg
• Flash Point: 86.1 °C
• PSA: 54.54000
• Density: 1.162 g/cm³
• LogP: 1.92480
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Air Sensitive
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 156.02450067
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-thiophenecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CS1

Technology Process of Ethyl 2-thiophenecarboxylate

There total 43 articles about Ethyl 2-thiophenecarboxylate 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: 96.0%

2-bromothiophene (1003-09-4) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → Ethyl thiophene-2-carboxylate (2810-04-0)

Guidance literature:

With triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 100 ℃; for 20h; under 15204.2 Torr;

Reference yield: 93.0%

2-thiophenylcarboxylic acid (527-72-0) + ethyl iodide (75-03-6) → Ethyl thiophene-2-carboxylate (2810-04-0)

Guidance literature:

With cesium fluoride; In acetonitrile; for 2.5h; Heating;

DOI:10.1080/00397919808007177

Reference yield: 92.0%

2-thiophenylcarboxylic acid (527-72-0) + ethanol (64-17-5) → Ethyl thiophene-2-carboxylate (2810-04-0)

Guidance literature:

With sulfuric acid; for 17h; Reflux;

DOI:10.1021/acs.jmedchem.9b00927

upstream raw materials:

thiophene

tetrachloromethane

ethanol

2-thiophenylcarboxylic acid

Downstream raw materials:

1,3-bis(2-thienyl)-1,3-propanedione

N-(4-chlorophenyl)thiophene-2-carboxamide

N-phenyl-2-thiophenecarboxamide

thiophene-2-carboxylic acid benzylamide