141859-20-3

Basic information

• Product Name: 4-Chloro-N-[3-(4-chloro-phenyl)-2-[3-(4-chloro-phenyl)-2-(3-methyl-isothiazol-5-yl)-2H-[1,2,4]thiadiazol-(5E)-ylidene]-1-methyl-3-[(E)-methylimino]-prop-(E)-ylidene]-N'-methyl-benzamidine
• CAS NO: 141859-20-3
• Molecular Weight: 652.071
• Mol File: 141859-20-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-Chloro-N-[3-(4-chloro-phenyl)-2-[3-(4-chloro-phenyl)-2-(3-methyl-isothiazol-5-yl)-2H-[1,2,4]thiadiazol-(5E)-ylidene]-1-methyl-3-[(E)-methylimino]-prop-(E)-ylidene]-N'-methyl-benzamidine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-N-[3-(4-chloro-phenyl)-2-[3-(4-chloro-phenyl)-2-(3-methyl-isothiazol-5-yl)-2H-[1,2,4]thiadiazol-(5E)-ylidene]-1-methyl-3-[(E)-methylimino]-prop-(E)-ylidene]-N'-methyl-benzamidine(141859-20-3)
• EPA Substance Registry System: 4-Chloro-N-[3-(4-chloro-phenyl)-2-[3-(4-chloro-phenyl)-2-(3-methyl-isothiazol-5-yl)-2H-[1,2,4]thiadiazol-(5E)-ylidene]-1-methyl-3-[(E)-methylimino]-prop-(E)-ylidene]-N'-methyl-benzamidine(141859-20-3)

Safety Data

• Hazardous Substances Data: 141859-20-3(Hazardous Substances Data)

Upstream product

• 39887-78-0 N-methyl-p-chlorobenzimidoyl chloride 
• 141859-17-8 2,5-dihydro-5-(2-iminopropylidene)-2-<5-(3-methylisothiazolyl)>-1,2,4-thiadiazole 
• 24340-76-9 3-methyl-5-aminothiazole 

Relevant articles and documents

CONDENSATION OF 5-AMINOISOTHIAZOLES WITH N-METHYLIMIDOYL CHLORIDE. RING-TRANSFORMATION WITH PARTICIPATION OF 10-S-3 TYPE SULFURANE

In the presence of 1,4-diazabicyclooctane, 5-amino-3-methylisothiazole (4a) in acetonitrile condensed with N-methyl-p-chlorobenzimidoyl chloride (5a) to afford two kinds of compounds along with several minor products.One of the two was 1:1 condensed product (6a) and the other was 2:1 condensed product (7a).The latter compound was obtaind in higher yield when an excess 4a was treated with 5a.On the other hand, in the absence of the additional base, 2:3 condedsed compound (8a) was isolated as a major product besides 6a and 7a. 8a was obtained by treatment of 7a with 2 equiv. of imidoyl chloride in 21 percent yield.Reaction of 5-amino-3-phenylisothiazole (4b) with imidoyl chloride (5a,b) furnished the analogous products.On the other hand, condensation of 5-amino-3-phenylisoxazole (4c) with 5a furnished the oxygen analogue (6d) corresponding to 6b as a sole isolated product.The formation of 7 is explained by ring-transformation from isothiazole into thiadiazole via hypervalent 10-S-3 type sulfurane (B).