105544-62-5

Basic information

• Product Name: 2-THIOUREIDO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
• Synonyms: Ethyl 2-thioureido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
• CAS NO: 105544-62-5
• Molecular Formula: C12H16N2O2S2
• Molecular Weight: 284.4
• Mol File: 105544-62-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 468.1°Cat760mmHg
• Flash Point: 236.9°C
• Appearance: /
• Density: 1.365g/cm³
• Vapor Pressure: 6.14E-09mmHg at 25°C
• Refractive Index: 1.675
• CAS DataBase Reference: 2-THIOUREIDO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-THIOUREIDO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER(105544-62-5)
• EPA Substance Registry System: 2-THIOUREIDO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER(105544-62-5)

Safety Data

• Hazardous Substances Data: 105544-62-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H16N2O2S2/c1-2-16-11(15)9-7-5-3-4-6-8(7)18-10(9)14-12(13)17/h2-6H2,1H3,(H3,13,14,17)

Upstream product

• 85716-87-6 ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 4506-71-2 ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 333-20-0 potassium thioacyanate 

Downstream Products

• 38201-60-4 4-oxo-2-thioxo-1,2,3,4,5,6,7,8-octahydrobenzothieno<2,3-d>pyrimidine 
• 53074-09-2 2-hydrazino-5,6,7,8-tetrahydro<1>benzothieno<2,3-d>pyrimidin-4(3H)-one 
• 54968-59-1 (6,7-tetramethylene-1-oxo-1,2-dihydrothieno[2,3-d]pyrimidin-3-ylsulfanyl)acetic acid ethyl ester 

Relevant articles and documents

Studies on synthesis and reactions of some new five and six-membered heterocycles bearing 5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyrimidin-4(3H)-ones skeleton

Thienopyrimidine derivatives are well-known in various pharmaceutical and biomedical domains. In this work, a series of efficacious and novel strategies for the synthesis of thienopyrimidines starting from 2-amino-3-carboethoxy-4,5,6,7-tetrahydrobenzo[b]thiophene has been developed. The regioselectivity of these synthetic strategies was investigated using density functional theory computation and spectroscopic analysis. In addition, the chemical structures of the new thienopyrimidines and their reaction mechanisms, as well as the biological activity of selected compounds were studied.