1452776-83-8

Basic information

• Product Name: tert-butyl 2-(3-(4-cyanobenzenesulfonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
• Synonyms: tert-butyl 2-(3-(4-cyanobenzenesulfonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
• CAS NO: 1452776-83-8
• Molecular Weight: 477.629
• Mol File: 1452776-83-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: tert-butyl 2-(3-(4-cyanobenzenesulfonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 2-(3-(4-cyanobenzenesulfonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate(1452776-83-8)
• EPA Substance Registry System: tert-butyl 2-(3-(4-cyanobenzenesulfonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate(1452776-83-8)

Safety Data

• Hazardous Substances Data: 1452776-83-8(Hazardous Substances Data)

Upstream product

• 3119-02-6 4-cyanobenzenesulfonamide 
• 207743-78-0 tert-butyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate 
• 92932-02-0 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid tert-butyl ester 

Downstream Products

• 1452849-77-2 (Z)-2-((4-cyanobenzenesulfonamido)(methylsulfanyl)-methyleneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid 
• 1452776-86-1 4-((2-(methylsulfanyl)-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno-[2,3-d]pyrimidin-3(4H)-yl)sulfonyl)benzonitrile 
• 1452849-72-7 (Z)-tert-butyl 2-((4-cyanobenzenesulfonamido)(methylsulfanyl)-methyleneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 

Relevant articles and documents

Regioselective sulfonylation and N- to O-sulfonyl migration of quinazolin-4(3H)-ones and analogous thienopyrimidin-4(3H)-ones

The sulfonylation of quinazolin-4(3H)-ones and related tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-ones with mesyl, tosyl, and p-cyanobenzenesulfonyl chloride was studied. A hydrogen substituent at 2-position directed the sulfonyl group to the N-3 position, while alkylsulfanyl or amino substituents led to sulfonylation of the carbonyl oxygen. The latter effect was attributed to steric influence and the positive mesomeric effect of the 2-substituent. An access to N-sulfonylated 2-substituted regioisomers was established. An unexpected 1,3-sulfonyl migration was observed and further analyzed. This process occurred as an intramolecular N- to O-shift as verified by kinetic and crossover experiments.