Ethyl thiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl thiophene-3-carboxylate
• CAS No.: 5751-80-4
• Molecular Formula: C7H8 O2 S
• Molecular Weight: 156.205
• Hs Code.: 2934999090
• European Community (EC) Number: 227-275-1
• DSSTox Substance ID: DTXSID40206120
• Nikkaji Number: J218.033B
• Wikidata: Q72477461
• Mol file: 5751-80-4.mol

Synonyms:ethyl thiophene-3-carboxylate;5751-80-4;ethyl 3-thiophenecarboxylate;Ethyl 3-thenoate;3-(Ethoxycarbonyl)thiophene;3-Thiophenecarboxylic acid, ethyl ester;EINECS 227-275-1;MFCD02179226;3-Thiophenecarboxylic acid ethyl ester;Ethylthiophene-3-carboxylate;SCHEMBL827404;DTXSID40206120;AMY13380;GEO-03865;AKOS009166447;CS-W002901;FS-3629;SY020096;E1082;FT-0635837;A831476;W-203165;4-allylsulfanyl-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile;Ethyl Thiophene-3-carboxylate

Chemical Property of Ethyl thiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.18mmHg at 25°C
• Refractive Index: 1.509-1.511
• Boiling Point: 211.7°Cat760mmHg
• Flash Point: 81.9°C
• PSA: 54.54000
• Density: 1.171g/cm³
• LogP: 1.92480
• Storage Temp.: 0-6°C
• Water Solubility.: Soluble in water.
• XLogP3: 2.1
• 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:

98%,99%, ^*data from raw suppliers

EthylThiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC=C1
• Uses: Ethyl thiophene-3-carboxylate is used as an intermediate in organic syntheses

Technology Process of Ethyl thiophene-3-carboxylate

There total 7 articles about Ethyl thiophene-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: 91.0%

ethanol (64-17-5) + 3-Thiophene carboxylic acid (88-13-1) → thiophene-3-carboxylic acid ethyl ester (5751-80-4)

Guidance literature:

With dmap; thionyl chloride; at 0 - 20 ℃; for 48h;

Reference yield: 88.0%

3-Thiophene carboxylic acid (88-13-1) → thiophene-3-carboxylic acid ethyl ester (5751-80-4)

Guidance literature:

With sulfuric acid; In ethanol; at 78 ℃;

Reference yield: 71.0%

Thien-3-ylboronic acid (6165-69-1) + ethyl (4-methoxyphenylimino)acetate (124156-21-4) → thiophene-3-carboxylic acid ethyl ester (5751-80-4)

Guidance literature:

With [2,2]bipyridinyl; palladium(II) trifluoroacetate; In nitromethane; at 120 ℃; for 48h; Inert atmosphere;

DOI:10.1039/c3ob41011k

upstream raw materials:

3-thiophene carboxylic acid chloride

ethanol

3-Bromothiophene

carbon monoxide

Downstream raw materials:

thiophenfurin

5-ethyl-thiophene-3-carboxylic acid

2,5-dichlorothiophene-3-carboxylic acid

ethyl 2,5-diphenyl-3-thiophenecarboxylate

Refernces

• 1、 -. "Anthracene derivative-based electroluminescent material as well as preparation method and application thereof". Paragraph 0053-0055. . Retrieved 2020/06/05.
• 2、 -. "IMIDE-CONTAINING LADDER TPYE HETEROARENES: SYNTHESIS AND RALATED ORGANIC SEMICONDUCTOR DEVICES". Page/Page column 17; 18. . Retrieved 2018/10/19.