ETHYL THIOPHENE-3-ACETATE

Base Information

• Chemical Name: ETHYL THIOPHENE-3-ACETATE
• CAS No.: 37784-63-7
• Molecular Formula: C8H10 O2 S
• Molecular Weight: 170.232
• Hs Code.: 29349990
• European Community (EC) Number: 253-665-6
• UNII: PDG44D7LLG
• DSSTox Substance ID: DTXSID50191230
• Nikkaji Number: J261.247J
• Wikidata: Q83063752
• Mol file: 37784-63-7.mol

Synonyms:Ethyl3-thienylacetate; Ethyl 3-thiopheneacetate

Chemical Property of ETHYL THIOPHENE-3-ACETATE

Chemical Property:

• Vapor Pressure: 0.0697mmHg at 25°C
• Refractive Index: 1.5090
• Boiling Point: 229.4°Cat760mmHg
• Flash Point: 103.3°C
• PSA: 54.54000
• Density: 1.148g/cm³
• LogP: 1.85370
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-Thiopheneacetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CC1=CSC=C1
• Uses: Ethyl thiophene-3-acetate is used in the syntheses of poly(thiophene-3-acetic acid) and solution-processable polymers, which consist of polythiophene main chain and alkyl and oligoaniline side groups.

Technology Process of ETHYL THIOPHENE-3-ACETATE

There total 14 articles about ETHYL THIOPHENE-3-ACETATE 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: 98.0%

thiophen-3-yl-acetic acid (6964-21-2) + ethanol (64-17-5) → ethyl-3 thiophene acetate (37784-63-7)

Guidance literature:

With hydrogenchloride; for 0.166667h;

DOI:10.1055/s-2007-977414

Reference yield: 94.0%

3-Bromothiophene (872-31-1) + diethyl malonate (105-53-3) → ethyl-3 thiophene acetate (37784-63-7)

Guidance literature:

With potassium phosphate; 18-crown-6 ether; bis(dibenzylideneacetone)-palladium⁽⁰⁾; tri tert-butylphosphoniumtetrafluoroborate; at 160 ℃; for 8h; Inert atmosphere;

DOI:10.1002/adsc.201100102

Reference yield: 89.0%

ethanol (64-17-5) + 2-(thiophen-3-yl)malonic acid (21080-92-2) → ethyl-3 thiophene acetate (37784-63-7) + diethyl 2-(thiophen-3-yl)malonate (37784-67-1)

Guidance literature:

With methanesulfonic acid; at 20 ℃; for 72h;

DOI:10.1016/0040-4020(96)00797-1

upstream raw materials:

diazomethane

3-thiophene carboxylic acid chloride

(thiophen-3-yl)acetonitrile

ethanol

Downstream raw materials:

ethyl 2-oxo-2-(thiophen-3-yl)acetate

ethyl 2-cyclohexyl-2-(3-thienyl)ethanoate

3-(4-bromo-phenyl)-2-thiophen-3-yl-propionic acid ethyl ester

Refernces

• 1、 -. "Useful thiophene derivatives in the treatment of diabetes". Page/Page column 133. . Retrieved 2017/10/24.
• 2、 -. "USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES". Paragraph 0181. . Retrieved 2015/07/22.