78488-11-6

Basic information

• Product Name: 1,3-Diazetidine-2,4-dione, 1-(chloroacetyl)-3-methyl- (9CI)
• Synonyms: 1,3-Diazetidine-2,4-dione, 1-(chloroacetyl)-3-methyl- (9CI)
• CAS NO: 78488-11-6
• Molecular Formula: C5H5ClN2O3
• Molecular Weight: 176.5578
• Product Categories: ACETYLHALIDE
• Mol File: 78488-11-6.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3-Diazetidine-2,4-dione, 1-(chloroacetyl)-3-methyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Diazetidine-2,4-dione, 1-(chloroacetyl)-3-methyl- (9CI)(78488-11-6)
• EPA Substance Registry System: 1,3-Diazetidine-2,4-dione, 1-(chloroacetyl)-3-methyl- (9CI)(78488-11-6)

Safety Data

• Hazardous Substances Data: 78488-11-6(Hazardous Substances Data)

Usage

General Description

1,3-Diazetidine-2,4-dione, 1-(chloroacetyl)-3-methyl- (9CI) is a chemical compound that belongs to the class of diazetidinedione compounds. It is also known by the chemical name 1-(chloroacetyl)-3-methyl-1,3-diazetidine-2,4-dione. 1,3-Diazetidine-2,4-dione, 1-(chloroacetyl)-3-methyl- (9CI) has potential applications in pharmaceutical and chemical research due to its unique structure and potential reactivity. It is important to handle this compound with care, as it contains a chloroacetyl group which is known to be reactive and can cause irritation upon contact with skin or eyes. Additionally, the potential reactivity of the diazetidinedione group makes it important to handle and use this compound with proper safety precautions.

Upstream product

• 4461-30-7 2-chloroacetylisocyanate 
• 624-83-9 methyl isocyanate 

Relevant articles and documents

Reactions de cycloaddition entre acyl (ou thioacyl) isocyanates (ou isothiocyanates) et isocyanates (ou isothiocyanates)

cycloaddition of an acylisocyanate (1a-1f) to an isocyanate (2a-2c) affords 2,4-dioxo-3,4-dihydro-1,3,5-2H-oxadiazine (4a-4j). Kinetic addition is observed with chloroacetyl (1g) or phenoxyacetyl (1h) isocyanate and methyl isocyanate (2a) to yield a dioxoazetidine (3a and 3b respectively).The reaction of N-dimethylcarbamoyl isothiocyanate (1c) with aromatic isocyanate (2c) or isothiocyanates (2d and 2e) is a cycloaddition too, yielding thioxo (4k) and dithioxo-oxadiazines (4l and 4m).But with the aliphatic isocyanates (2a and 2b) we have observed a preliminary rearrangement of N-dimethylcarbamoyl isothiocyanate 1i to N-dimethylthiocarbamoyl isocyanate 1j and we have obtained 1,3,5-2H-thiadiazines (4n and 4p). Type 1 compounds Acylisocyanates X = Y = O R1 = a : phenyl; b : 3-nitrophenyl; c : 4-nitrophenyl; d : 4-chloro-3,5-dinitrophenyl; e : 4-chloro-2-methylphenoxymethyl; f : 2',4',5'-trichloro-1-phenoxyethyl; g : chloromethyl; h : phenoxymethyl.For R1 = N-dimethyl : N-dimethylcarbamoyl isothiocyanate : i : X = O Y = S; N-dimethylthiocarbamoyl isocyanate : j : X = S Y = O; N-dimethylthiocarbamoyl isothiocyanate : k : X = Y = S.Type 2 compounds Isocyanates Z = O R2 = a : methyl; b : ethyl; c : phenyl; Isothiocyanates Z = S R2 = d : phenyl; e : 4-fluorophenyl.Type 3 compounds Dioxoazetidines X = Y = Z = O R2 = methyl R1 = a : chloroacetyl; b : phenoxyacetyl.Type 4 compounds 1,3,5-2H-oxadiazines X = Y = Z = O R1 = phenyl R2 = a : methyl; b : ethyl; c : phenyl; R2 = methyl R1 = d : 3-nitrophenyl; e : 4-nitrophenyl; f : 4-chloro-3,5-dinitrophenyl; g : 4-chloro-2-methylphenoxymethyl; h : 2',4',5'-trichlorophenoxyethyl; i : chloromethyl; j : phenoxymethyl.For R1 = N-dimethyl : 4-thioxo-1,3,5-oxadiazines : X = Z = O Y = S R2 = k : phenyl 2,4-dithioxo-1,3,5-2H-oxadiazines : X = O Y = Z = S R2 = l : phenyl; m : 4-fluorophenyl. 1,3,5-2H-thiadiazines : X = S Y = Z = O R2 = n : methyl; p : ethyl.