84017-08-3

Basic information

• Product Name: 1-(4-Dimethylamino-phenyl)-3-(2-{2-[3-(4-methyl-benzoyl)-ureido]-ethyldisulfanyl}-acetyl)-urea
• CAS NO: 84017-08-3
• Molecular Weight: 489.619
• Mol File: 84017-08-3.mol

Chemical Properties

• CAS DataBase Reference: 1-(4-Dimethylamino-phenyl)-3-(2-{2-[3-(4-methyl-benzoyl)-ureido]-ethyldisulfanyl}-acetyl)-urea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Dimethylamino-phenyl)-3-(2-{2-[3-(4-methyl-benzoyl)-ureido]-ethyldisulfanyl}-acetyl)-urea(84017-08-3)
• EPA Substance Registry System: 1-(4-Dimethylamino-phenyl)-3-(2-{2-[3-(4-methyl-benzoyl)-ureido]-ethyldisulfanyl}-acetyl)-urea(84017-08-3)

Safety Data

• Hazardous Substances Data: 84017-08-3(Hazardous Substances Data)

Upstream product

• 52789-07-8 1-(4-Dimethylamino-phenyl)-3-(2-mercapto-acetyl)-urea 
• 84017-04-9 1-(2-Mercapto-ethyl)-3-(4-methyl-benzoyl)-urea 

Relevant articles and documents

SPECIFIC RECOGNITION OF NONPOLAR GROUPS IN AQUEOUS MEDIA. LARGER SELECTIVITY DIFFERENCES IN OXIDATION OF ASSOCIATING THIOLS IN AQUEOUS MIXED SOLVENTS THAN IN NONAQUEOUS ONES

Environment dependence of the selectivity in oxidation of a pair of associating thiols was examined in binary solvent mixtures of an alcohol or acetonitrile with water and an organic cosolvent.The discrimination between the two nonpolar groups (n- and i-C5H11 groups, phenyl and p-tolyl groups, or n- and i-C4H9 groups) of one of the thiols was found to occur more specifically in aqueous media than in the corresponding nonaqueous media.

A Kinetic Study on Oxidation of a Pair of Associating Thiols Having Substituted PhenylGroups with Oxygen

The rates of oxidation of 1:1 mixtures of associating thiols, each having the binding site (-CONHCONH-) and the recognition site , with O2 were measured in 80percent (v/v) acetonitrile-20percent water in the range of 20 to 50 deg C.Oxidation of the thiol having the p-(CH3)2NC6H4 group proceeds about 100 times faster than that of the thiols with R.It has been found that oxidation of 1:1 mixtures of the thiols is first-order with respect to thiols and 0.7 th-order with respect to triethylamine by means of the method of initial rates.The k1.7 values for R = C6H5, p-CH3C6H4, and p-C2H5C6H4 were similar to one another; this makes a sharp contrast with our previous work that the selectivity (the logarithmeric ratio of the yield of the unsymmetrical disulfide to twice that of the symmetrical disulfide) changes greatly with the structures of R and temperature.It is concluded that the product ratio does not depend upon the k1.7.The large negative activation entropies (-51 to -45 cal K-1 mol-1) suggest that the oxidation would proceed through a highly ordered transition state.

The Role of Molecular Shape Similarity in Specific Molecular Recognition

For the oxidation of associating thiols and the formation of a 1:1 crystalline complex between acylurea derivatives it has been shown that a similarity in geometrical shape of interacting groups is responsible for specific molecular recognition.