Ethyl 2-thienylacetate

Base Information

• Chemical Name: Ethyl 2-thienylacetate
• CAS No.: 57382-97-5
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 29349990
• European Community (EC) Number: 260-715-0
• DSSTox Substance ID: DTXSID00205977
• Nikkaji Number: J38.101B
• Wikidata: Q72477453
• Mol file: 57382-97-5.mol

Synonyms:Ethyl 2-thiopheneacetate;57382-97-5;Ethyl 2-thienylacetate;ethyl 2-(thiophen-2-yl)acetate;ethyl 2-thiophen-2-ylacetate;Thiopheneacetic acid, ethyl ester;Ethyl thiophene-2-acetate;2-Thiopheneacetic acid, ethyl ester;EINECS 260-715-0;ethyl thiophen-2-ylacetate;Ethyl2-thiopheneacetate;Ethyl 2-thienylacetate #;Ethyl 2-thiophene acetate;BIDD:GT0630;SCHEMBL358221;Ethyl 2-thiopheneacetate, 98%;2-Thienylacetic acid ethyl ester;DTXSID00205977;ethyl 2-(thiophene-2-yl)acetate;ETHYL-2-THIOPHENE ACETATE;STR03971;MFCD00005457;STL284639;AKOS008950820;thiophen-2-yl acetic acid ethyl ester;SB66822;FT-0613444;D81743

Chemical Property of Ethyl 2-thienylacetate

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.0841mmHg at 25°C
• Melting Point: 0.7 °C (approx)
• Refractive Index: 1.509-1.511
• Boiling Point: 225.9 °C at 760 mmHg
• Flash Point: 104.4 °C
• PSA: 54.54000
• Density: 1.148 g/cm³
• LogP: 1.85370
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.9
• 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:

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

Ethyl 2-thiopheneacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=CS1
• Uses: Ethyl 2-thiopheneacetate has been used in preparation of:S-(2-(5-((amidinothio)methyl)-2-thienyl)ethyl)isothioureapyrrolo [3,2-b] pyrrole-based copolymers for organic photovoltaic device

Technology Process of Ethyl 2-thienylacetate

There total 13 articles about Ethyl 2-thienylacetate 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: 95.0%

Thiophene-2-acetic acid (1918-77-0) + ethanol (64-17-5) → ethyl thiophen-2-ylacetate (57382-97-5)

Guidance literature:

With hydrogenchloride; In water; at 70 ℃; for 19h;

Reference yield: 93.0%

ethyl α-methylthio-2-thiopheneacetate (64769-72-8) → ethyl thiophen-2-ylacetate (57382-97-5)

Guidance literature:

With zinc; In acetic acid; at 100 - 110 ℃; for 1h;

Reference yield: 90.0%

2-bromothiophene (1003-09-4) + ethyl potassium malonate (6148-64-7) → ethyl thiophen-2-ylacetate (57382-97-5)

Guidance literature:

With dmap; bis(η3-allyl-μ-chloropalladium(II)); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,3,5-trimethyl-benzene; at 140 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tet.2012.01.032

upstream raw materials:

diazomethane

2-Thiophenecarbonyl chloride

2-cyanomethylthiophene

ethanol

Downstream raw materials:

(5-benzoyl-thiophen-2-yl)-acetic acid ethyl ester

C₁₆H₁₃NO₃S

thienylglycoxylate dethyle

2-thienylacetic acid chloride

Refernces

• 1、 Gavara, Laurent,Legru, Alice,Verdirosa, Federica,Sevaille, Laurent,Nauton, Lionel,Corsica, Giuseppina,Mercuri, Paola Sandra,Sannio, Filomena,Feller, Georges,Coulon, Rémi,De Luca, Filomena,Cerboni, Giulia,Tanfoni, Silvia,Chelini, Giulia,Galleni, Moreno,Docquier, Jean-Denis,Hernandez, Jean-Fran?ois. "4-Alkyl-1,2,4-triazole-3-thione analogues as metallo-β-lactamase inhibitors". supporting information. . Retrieved 2021/06/15.
• 2、 -. "Opioid receptor agonists and application thereof". Paragraph 1376; 1379; 1403-1407. . Retrieved 2019/01/24.