2-Thienylcarbamic acid ethyl ester

Base Information

• Chemical Name: 2-Thienylcarbamic acid ethyl ester
• CAS No.: 105995-16-2
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.22
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60544612
• Nikkaji Number: J2.571.769D
• Wikidata: Q82421775
• Mol file: 105995-16-2.mol

Synonyms:105995-16-2;2-Thienylcarbamic acid ethyl ester;2-THIENYL-CARBAMIC ACID ETHYL ESTER;ethyl thiophen-2-ylcarbamate;ethyl N-thiophen-2-ylcarbamate;2-Thienylcarbamicacidethylester;ETHYL N-(THIOPHEN-2-YL)CARBAMATE;SCHEMBL1258833;DTXSID60544612;AC2824;MFCD10568164;AKOS006303128;Carbamic acid,N-2-thienyl-,ethyl ester;SY002881;CS-0335495;A895913

Chemical Property of 2-Thienylcarbamic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.177mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 212 °C at 760 mmHg
• Flash Point: 82 °C
• PSA: 66.57000
• Density: 1.269 g/cm³
• LogP: 2.38950
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%min ^*data from raw suppliers

2-ThienylcarbamicAcidEthylEster 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1=CC=CS1

Technology Process of 2-Thienylcarbamic acid ethyl ester

There total 5 articles about 2-Thienylcarbamic acid ethyl ester 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: 75.0%

2-thiophenylcarboxylic acid (527-72-0) + ethanol (64-17-5) → ethyl thiophen-2-ylcarbamate (105995-16-2)

Guidance literature:

2-thiophenylcarboxylic acid; With thionyl chloride; at 100 ℃; for 5h;

With sodium azide; cetyltrimethylammonim bromide; In dichloromethane; at 20 ℃; for 18h;

ethanol; at 80 ℃; for 4h; Further stages.;

DOI:10.1055/s-2007-990947

Reference yield: 1.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + ethyl azidocarbonate (817-87-8) → ethyl 1H-pyrrole-1-carboxylate (4277-64-9) + ethyl thiophen-2-ylcarbamate (105995-16-2) + N,N'-bis(ethoxycarbonyl)sulfoxylic diamide (90485-89-5) + N-((Z)-Styrylsulfanyl)-propionamide + 2-(Thiophen-2-ylsulfanyl)-pyrrole-1-carboxylic acid ethyl ester (105995-15-1) + urethane (51-79-6)

Guidance literature:

Mechanism; Product distribution;

DOI:10.1016/S0040-4039(86)80061-2

Reference yield: 1.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + ethyl azidocarbonate (817-87-8) → ethyl 1H-pyrrole-1-carboxylate (4277-64-9) + ethyl thiophen-2-ylcarbamate (105995-16-2) + N-((Z)-Styrylsulfanyl)-propionamide + 2-(Thiophen-2-ylsulfanyl)-pyrrole-1-carboxylic acid ethyl ester (105995-15-1)

Guidance literature:

at 130 ℃; for 1h; Further byproducts given;

DOI:10.1016/S0040-4039(86)80061-2

upstream raw materials:

ethanol

2-thiophenecarbonyl azide

thiophene

ethyl azidocarbonate

Refernces

• 1、 Beccalli, Egle M.,Broggini, Gianluigi,Martinelli, Michela,Sottocornola, Silvia. "Microwave-assisted intramolecular cyclization of electron-rich heterocycle derivatives by a palladium-catalyzed coupling reaction". . p. 136 - 140. Retrieved 2008/09/20.