95546-61-5

Basic information

• Product Name: (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID
• Synonyms: (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID
• CAS NO: 95546-61-5
• Molecular Formula: C14H16N2O2S
• Molecular Weight: 276.35
• Mol File: 95546-61-5.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID(95546-61-5)
• EPA Substance Registry System: (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID(95546-61-5)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 95546-61-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(4-Cyano-1-ethyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetic acid is used as a precursor or intermediate for the synthesis of bioactive molecules, due to its complex molecular structure and potential reactivity and biological activity. Its presence in the synthesis process can contribute to the development of new pharmaceuticals with various therapeutic effects.

Upstream product

• 95546-75-1 1-(2-Piperidin-1-yl-cyclohex-1-enyl)-propan-1-one 
• 32316-46-4 2-propionylcyclohexanone 
• 1655-03-4 1-cyclohex-1-enyl-propan-1-one 
• 95546-97-7 1-ethyl-4-cyano-5,6,7,8-tetrahydro-3(2H)-isoquinolinethione 

Relevant articles and documents

CYCLIZATION OF NITRILES. XIV. SYNTHESIS AND REACTIONS OF 1-ALKYL-4-CYANO-5,6,7,8-TETRAHYDRO-3(2H)-ISOQUINOLINETHIONES AND SOME OF THEIR ANALOGS

1-Alkyl-4-cyano-5,6,7,8-tetrahydro-3(2H)-isoquinolinethiones and 6-methyl-4,5-trimethylene-3-cyano-2(1H)-pyridinethione were synthesized by the reaction of cyclic enamino ketones and 1,3-diketones with nitriles containing an active methylene group.The products are readily alkylated by halogen derivatives of the sulfur atom with the formation of substituted 3-alkylthio-4-cyano-5,6,7,8-tetrahydroisoquinolines, 3-aminothienopyridines, and 3-aminothienoquinolines, which were used in the synthesis of various heterocyclic systems.The corresponding 1-alkyl-4-cyano-5,6,7,8-tetrahydro-3(2H)-isoquinolines are alkylated preferentially at the ring nitrogen atom.