39098-85-6

Basic information

• Product Name: 3-Oxobutanoyl chloride
• Synonyms: 3-Oxobutanoyl chloride;Butanoyl chloride, 3-oxo- (9CI);Butanoyl Chloride 3-Oxo
• CAS NO: 39098-85-6
• Molecular Formula: C₄H₅ClO₂
• Molecular Weight: 120.5343
• Product Categories: ACETYLGROUP
• Mol File: 39098-85-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: -51--50 °C
• Boiling Point: 153.0±23.0 °C(Predicted)
• Appearance: /
• Density: 1.203±0.06 g/cm3(Predicted)
• PKA: 8.20±0.46(Predicted)
• CAS DataBase Reference: 3-Oxobutanoyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Oxobutanoyl chloride(39098-85-6)
• EPA Substance Registry System: 3-Oxobutanoyl chloride(39098-85-6)

Safety Data

• Hazardous Substances Data: 39098-85-6(Hazardous Substances Data)

Usage

General Description

3-Oxobutanoyl chloride, also known as acetylacetyl chloride, is a colorless liquid compound with a pungent odor. It is often used as a reagent in organic synthesis and is a key intermediate in the production of pharmaceuticals, agrochemicals, and polymers. 3-Oxobutanoyl chloride is a versatile chemical that can undergo a variety of reactions, including esterification, acylation, and condensation, making it useful in the production of a wide range of compounds. However, it is highly reactive and should be handled with care, as it can cause skin and eye irritation, and inhaling its vapors can be harmful. Overall, 3-Oxobutanoyl chloride is an important building block in the chemical industry due to its reactivity and versatility in organic synthesis.

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 

Downstream Products

• 38920-42-2 N-[4-(1-Amino-4-hydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yloxy)-phenyl]-3-oxo-butyramide 
• 111-65-9 octane 
• 88121-68-0 trans-1-Propyl-3-acetyl-4-phenyl-2-azetidinone 
• 81375-55-5 6-Methyl-2-phenyl-3-propyl-2,3-dihydro-[1,3]oxazin-4-one 
• 520-45-6 Dehydracetic acid 
• 93-91-4 1-phenylbutan-1,3-dione 

Relevant articles and documents

Sodium carbonate as a solid-phase reagent for the generation of acetylketene

Reaction of a toluene solution of 3-oxobutanoyl chloride (14) with Na2CO3 in the presence of a catalytic amount of triethylamine at -78 °C generates a solution of acetylketene (2), the dimer of which was isolated. Acetylketene (2) was trapped with 2-propanone, 2-propanol, and ethyl vinyl ether.

6-Methyl-2H-1,3-oxazin-2,4(3H)dione-3-sulfohalides

3-Sulfohalides of 6-methyl-2H-1,3-oxazin-2,4(3H)-dione of the formula I STR1 in which X represents fluorine or chlorine are prepared by reacting fluorosulfonyl isocyanate or chlorosulfonyl isocyanate, at a temperature of from -35° to +70° C, optionally in the presence of an inert solvent, with diketene, acetoacetyl fluoride, acetoacetyl chloride, acetoacetic acid or an isopropenyl ester of the formula CH2 =C(OOCR)-CH3 in which R represents an alkyl radical having from 1 to 4 carbon atoms, a substituted or unsubstituted phenyl or benzyl radical.