4461-31-8

Basic information

• Product Name: Acetyl isocyanate, phenoxy-
• CAS NO: 4461-31-8
• Molecular Formula: C9H7NO3
• Molecular Weight: 177.159
• Mol File: 4461-31-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Acetyl isocyanate, phenoxy-(CAS DataBase Reference)
• NIST Chemistry Reference: Acetyl isocyanate, phenoxy-(4461-31-8)
• EPA Substance Registry System: Acetyl isocyanate, phenoxy-(4461-31-8)

Safety Data

• Hazardous Substances Data: 4461-31-8(Hazardous Substances Data)

Upstream product

• 79-37-8 oxalyl dichloride 
• 621-88-5 phenoxyacetamide 

Downstream Products

• 54201-25-1 N-(Phenoxyacetyl)-peroxycarbamidsaeure-tert-butylester 
• 5882-92-8 (2-Phenoxy-acetyl)-carbamic acid 2-chloro-allyl ester 
• 13922-98-0 N-Phenyloxyacetyl-O-allylcarbamat 
• 22901-76-4 N-Phenoxyacetyl-carbaminsaeure-β-chlor-ethylester 
• 69486-27-7 1-(N-phenoxyacetyl-carbamoyl)-2-cyanoaziridine 
• 13922-99-1 N-Phenyloxyacetyl-O-phenylcarbamat 
• 13922-91-3 N-Phenyloxyacetyl-O-isopropylcarbamat 
• 16575-32-9 4-Phenoxyacetyl-1-(4-nitrophenyl)semicarbazid 
• 13923-02-9 N-Phenyloxyacetyl-O-p-chlor-phenyl-carbamat 
• 13923-01-8 N-Phenyloxyacetyl-O-o-tolylcarbamat 
• 13923-03-0 N-Phenyloxyacetyl-O-(2-methyl-4-chlor-phenyl)-carbamat 
• 13922-97-9 N-Phenyloxyacetyl-O-cetylcarbamat 
• 13923-26-7 (N-2,4-Dichlor-phenoxyacetyl)-S-n-amyl-thiocarbamat 
• 13922-94-6 N-Phenyloxyacetyl-O-n-amylcarbamat 

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.