6068-89-9

Basic information

• Product Name: N-(2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
• Synonyms: Thiocyanic acid, 3-buten-1-yl ester
• CAS NO: 6068-89-9
• Molecular Formula: C₅H₇NS
• Molecular Weight: 271.3607
• Mol File: 6068-89-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 425.7°C at 760 mmHg
• Flash Point: 211.2°C
• Density: 1.3g/cm³
• Vapor Pressure: 1.88E-07mmHg at 25°C
• Refractive Index: 1.676
• CAS DataBase Reference: N-(2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine(6068-89-9)
• EPA Substance Registry System: N-(2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine(6068-89-9)

Safety Data

• Hazardous Substances Data: 6068-89-9(Hazardous Substances Data)

Upstream product

• 5162-44-7 1-bromo-4-butene 
• 333-20-0 potassium thioacyanate 
• 627-27-0 homoalylic alcohol 
• 778-29-0 but-3-enyl 4-methylbenzenesulfonate 
• 505-14-6 thiocyanogen 

Downstream Products

• 3386-97-8 4-isothiocyanato-1-butene 

Relevant articles and documents

Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard

Allyl isothiocyanate (ITC) (4) is the main pungent component in wasabi, and it generates an acrid sensation by activating TRPA1. The flavor and pungency of ITCs vary depending on the compound. However, the differences in activity to activate TRPA1 between ITCs are not known except for a few compounds. To investigate the effect of carbon chain length and substituents of ITCs, the TRPA1-activiting ability of 16 ITCs was measured. Since most of the ITCs showed nearly equal TRPA1-activiting potency, the ITC moiety is likely the predominant contributor to their TRPA1-activating abilities, and contributions of other functional groups to their activities to activate TRPA1 are comparatively small. (Figure Presented).

Novel synthesis of allyl and cyclopropylcarbinyl thiocyanates by the reaction of organocobaloximes with thiocyanogen

Thiocyanogen reacts in aprotic solvents with allyl and but-3-enyl cobaloximes to give moderate yields of allyl and cyclopro-pylcarbinyl thiocyanates. Using this method highly unstable allyl thiocyanates may be prepared in situ at low temperature. Their rearrangement to isothiocyanates is observed at sub-zero temperatures.