4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one 4-methylbenzenesulfonate

Base Information

• Chemical Name: 4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one 4-methylbenzenesulfonate
• CAS No.: 178688-49-8
• Molecular Formula: C14H17NO4S2
• Molecular Weight: 327.425
• Hs Code.: 2934999090
• Mol file: 178688-49-8.mol

Synonyms:5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one p-toluenesulfonate;2-oxo-thienotetrahydropyridine p-toluenesulfonate;methyl 3-oxo-2,3-diphenylpropionate;methyl 2-benzoyl-2-phenylacetate;3-Oxo-2,3-diphenylpropansaeure-methylester;thienopyridin-2-one p-toluenesulfonate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2(3H)-one p-toluenesulfonate;3-Oxo-2,3-diphenylpropenoic acid methyl ester;2-Oxo-2,3-diphenylpropansaeure-methylester;2-oxo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine p-toluenesulfonate;2-oxo-2,4,5,6,7a-hexahydrothieno[3,2-c]pyridine p-toluenesulfonate;methyl benzoylphenylacetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-one p-toluenesulfonate;

Chemical Property of 4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one 4-methylbenzenesulfonate

Chemical Property:

• PSA: 117.15000
• LogP: 3.54860
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one4-methylbenzenesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Use Description: 4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one 4-methylbenzenesulfonate is a chemical compound with potential applications in various fields. In the realm of pharmaceuticals and medicinal chemistry, it can serve as an intermediate in the synthesis of organic molecules and pharmaceutical agents, potentially contributing to the development of new drugs targeting a range of medical conditions. Its role is pivotal in drug discovery and development, aiding in the creation of medications with specific therapeutic properties. Additionally, in the field of chemical research, this compound can be employed as a reference compound for the study of thienopyridine derivatives and their reactivity, facilitating research in organic chemistry and chemical analysis. Furthermore, in the pharmaceutical industry, it may find applications as a chemical intermediate for the development of new drug compounds, potentially contributing to drug discovery and medicinal chemistry research. Its multifaceted utility underscores its significance in pharmaceuticals, chemical research, and scientific investigation, where it plays a crucial role in drug innovation, compound synthesis, and chemical analysis.

Technology Process of 4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one 4-methylbenzenesulfonate

There total 1 articles about 4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one 4-methylbenzenesulfonate 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: 89.0%

2-oxo-2,4,5,6,7a-hexahydrothieno[3,2-c]pyridine hydrochloride (951380-43-1) + toluene-4-sulfonic acid (104-15-4) → 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one p-toluenesulfonate (178688-49-8)

Guidance literature:

With triethylamine; In methanol; acetone;

Reference yield: 60.3%

2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone (204205-33-4) + 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one p-toluenesulfonate (178688-49-8) + acetic anhydride (108-24-7) → prasugel (150322-43-3)

Guidance literature:

2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone; 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one p-toluenesulfonate; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 30 ℃; for 0.5h;

acetic anhydride; With N-ethyl-N,N-diisopropylamine; dmap; In acetonitrile; Product distribution / selectivity;

Reference yield:

α-cyclopropylcarbonyl-2-fluorobenzyl chloride (178688-43-2) + 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one p-toluenesulfonate (178688-49-8) → 5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (951380-42-0)

Guidance literature:

With tetrabutylammomium bromide; sodium hydrogencarbonate; potassium bromide; In N,N-dimethyl-formamide; at 40 - 55 ℃; for 0.75h; Inert atmosphere;

upstream raw materials:

2-oxo-2,4,5,6,7a-hexahydrothieno[3,2-c]pyridine hydrochloride

toluene-4-sulfonic acid

Downstream raw materials:

5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-(tert-butyldimethylsilyloxy)-5-(α-cyclopropylformyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

prasugel

5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate benzene sulfonate

Refernces