4426-68-0

Basic information

• Product Name: Benzene, isoselenocyanato-
• Synonyms: Benzene, isoselenocyanato-
• CAS NO: 4426-68-0
• Molecular Formula: C₇H₅NSe
• Molecular Weight: 182.08
• Mol File: 4426-68-0.mol
• Article Data: 37

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzene, isoselenocyanato-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, isoselenocyanato-(4426-68-0)
• EPA Substance Registry System: Benzene, isoselenocyanato-(4426-68-0)

Safety Data

• Hazardous Substances Data: 4426-68-0(Hazardous Substances Data)

Upstream product

• 1197040-29-1 phenyl isocyanate 
• 62-53-3 aniline 
• 64-18-6 formic acid 
• 7782-49-2 selenium 
• 67-66-3 chloroform 
• 245539-09-7 2,3-dichlorophenyl isocyanide 
• 698-16-8 benzohydroximoyl chloride 
• 75-44-5 phosgene 
• 103-70-8 Formanilid 
• 103-71-9 phenyl isocyanate 
• 506-80-9 carbon diselenide 
• 622-44-6 phenylcarbonimidic dichloride 

Downstream Products

• 16519-43-0 1,3-diphenyl-selenourea 
• 905727-08-4 N-allyl-N'-phenylselenourea 
• 714968-86-2 N-(β-D-glucopyranosyl)-N'-phenyl selenourea 
• 34938-46-0 N-phenyl-O-methylselenocarbamate 
• 1167976-61-5 (Z)-N-(1,3-oxaselenepan-2-ylidene)aniline 
• 1332566-32-1 5-amino-N,1,3-triphenyl-2-selenoxo-2,3-dihydro-1H-imidazole-4-carboselenoamide 
• 1332566-37-6 5-amino-3-methyl-N,1-diphenyl-2-selenoxo-2,3-dihydro-1H-imidazole-4-carboselenoamide 
• 769164-47-8 7-methyl-4-(phenylamino)quinazoline-2(1H)-selone 
• 714968-87-3 N-(β-D-mannopyranosyl)-N'-phenylselenourea 
• 685901-64-8 3-acetyl-4-diethylamino-N-phenylselenet-2(2H)-imine 
• 2433-53-6 3-(phenylamino)-2H-1,2,4-triazole 

Relevant articles and documents

A facile preparation of selenohydantoins using isoselenocyanate

(Chemical Equation Presented) Reactions of isoselenocyanate with methyl aminoacetate hydrochlorides in the presence of triethylamine afforded selenohydantoins, 2-selenoxoimidazolidin-4-ones, in high yields.

Synthesis and Properties of N,N′-Disubstituted Ureas and Their Isosteric Analogs Containing Polycyclic Fragments: XI. 1-[(Adamantan-1 yl)alkyl]-3-arylselenoureas

Abstract: A series of N,N′-disubstituted selenoureas containing an adamantane fragmenthave been synthesized in 23–75% yields. Procedures for the isolation andpurification of aromatic isoselenocyanates have been improved. The chemicalshift of the C=Se carbon nucleus in the 13C NMRspectra of selenoureas has been refined. The synthesized selenoureas have beenfound to be promising as inhibitors of not only epoxide hydrolase (sEH-H) butalso phosphatase domains (sEH-P) of human soluble epoxide hydrolase.

The Importance of 1,5-Oxygen???Chalcogen Interactions in Enantioselective Isochalcogenourea Catalysis

The importance of 1,5-O???chalcogen (Ch) interactions in isochalcogenourea catalysis (Ch=O, S, Se) is investigated. Conformational analyses of N-acyl isochalcogenouronium species and comparison with kinetic data demonstrate the significance of 1,5-O???Ch interactions in enantioselective catalysis. Importantly, the selenium analogue demonstrates enhanced rate and selectivity profiles across a range of reaction processes including nitronate conjugate addition and formal [4+2] cycloadditions. A gram-scale synthesis of the most active selenium analogue was developed using a previously unreported seleno-Hugerschoff reaction, allowing the challenging kinetic resolutions of tertiary alcohols to be performed at 500 ppm catalyst loading. Density functional theory (DFT) and natural bond orbital (NBO) calculations support the role of orbital delocalization (occurring by intramolecular chalcogen bonding) in determining the conformation, equilibrium population, and reactivity of N-acylated intermediates.