5067-80-1

Basic information

• Product Name: N,N'-diphenyl-N''-benzoylguanidine
• Synonyms: N,N'-diphenyl-N''-benzoylguanidine
• CAS NO: 5067-80-1
• Molecular Weight: 315.374
• Mol File: 5067-80-1.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: N,N'-diphenyl-N''-benzoylguanidine(CAS DataBase Reference)
• NIST Chemistry Reference: N,N'-diphenyl-N''-benzoylguanidine(5067-80-1)
• EPA Substance Registry System: N,N'-diphenyl-N''-benzoylguanidine(5067-80-1)

Safety Data

• Hazardous Substances Data: 5067-80-1(Hazardous Substances Data)

Upstream product

• 62-53-3 aniline 
• 3911-55-5 N-benzoyl-carbonimidic acid dichloride 
• 532-55-8 Benzoyl isothiocyanate 
• 98-88-4 benzoyl chloride 
• 4921-82-8 1-benzoyl-3-phenylthiourea 
• 21406-30-4 N-Benzoylamino-dithiokohlensaeuremethylester 
• 24786-18-3 dimethyl N-benzoyldithiocarbonimidate 

Downstream Products

• 20277-92-3 diphenylguanidine 
• 102-06-7 diphenylguanidine 

Relevant articles and documents

A simple one-pot methodology for the synthesis of substituted benzoylguanidines from benzoylthioureas using tert-butyl hydroperoxide

The potential of tert-butyl hydroperoxide as a reagent in the guanylation of benzoylthioureas in the presence of amines has been evaluated in a systematic study involving substrates bearing N2-substituents with different electronic properties. The results show that tBuOOH is a suitable and robust reagent for the synthesis of either N1,N2,N3-tri- and tetrasubstituted or N1,N2-disubstituted guanidines from N2-substituted N1-benzoylthioureas and N1-benzoylthioureas, respectively. The recrystallised guanylation adducts were readily obtained in good yields and at high purity levels after a simple one-pot reaction procedure. The crystal structures of two novel benzoylguanidines are provided.

Reactions with N-Acylimino-dithiocarbonic-acid-diesters

Reactions of N-acylimino-dithiocarbonic-acid-S,S-diesters 1 with nucleophilic compounds present new possibilities to synthesize heterocycles.With amines 1a reacts by mono- and disubstitution, respectively, of methylthio-groups to isothioureas 2 and guanidines 3, with 1,2-binucleophilic arenes to benzoheterocycles 4, with aliphatic diamines to imidazolines 5, pyrimidines 6, diazepines 7 and the hexamethylene-diamine-derivatives 8. 1a reacts also with hydrazines to 1,2,4-triazoles 9 and with hydrazides to the thiosemicarbazones 10 or 1,3,4-oxadiazoles 11.Heterocyclisations of 1 with guanidines, thiourea, salts of thiourea and amidines give the 1,3,5-triazines 12, 14, 15 and 16.N-benzoyl-dithiocarbonic-acid-methylester -amid reacts with CH-acidic compounds to thiazoles 17.The structures of the final products are determined by i.r.-, 1H-n.m.r.-, u.v.- and mass-spectras.