155372-77-3

Basic information

• Product Name: 1,3-Cyclohexanedione, 2-(chloroacetyl)-5,5-dimethyl- (9CI)
• Synonyms: 1,3-Cyclohexanedione, 2-(chloroacetyl)-5,5-dimethyl- (9CI)
• CAS NO: 155372-77-3
• Molecular Formula: C₁₀H₁₃ClO₃
• Molecular Weight: 216.66142
• Product Categories: ACETYLHALIDE
• Mol File: 155372-77-3.mol

Chemical Properties

• Boiling Point: 346.7±37.0 °C(Predicted)
• Appearance: /
• Density: 1.200±0.06 g/cm3(Predicted)
• PKA: 3.24±0.42(Predicted)
• CAS DataBase Reference: 1,3-Cyclohexanedione, 2-(chloroacetyl)-5,5-dimethyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Cyclohexanedione, 2-(chloroacetyl)-5,5-dimethyl- (9CI)(155372-77-3)
• EPA Substance Registry System: 1,3-Cyclohexanedione, 2-(chloroacetyl)-5,5-dimethyl- (9CI)(155372-77-3)

Safety Data

• Hazardous Substances Data: 155372-77-3(Hazardous Substances Data)

Usage

Family

Cyclohexanones

Physical state

Yellow liquid

Odor

Distinctive

Primary use

Intermediate in the production of various chemicals

Applications

Pharmaceutical, agrochemical, and fragrance industries

Additional use

Reagent in organic synthesis

Role

Building block for the synthesis of complex organic molecules

Hazard

Known irritant

Health risks

Can cause skin, eye, and respiratory irritation

Safety precautions

Handle and use with caution in a controlled laboratory setting

Upstream product

• 126-81-8 dimedone 
• 107-20-0 2-chloroethanal 
• 1565845-89-7 triethylammonium 2-bromo-5,5-dimethylcyclohexane-1,3-dione-2-ide 
• 129818-73-1 5,5-dimethyl-3-chloroacetoxy-2-cyclohexen-1-one 

Downstream Products

• 125246-89-1 2-<(methoxythiocarbonylthio)acetyl>-5,5-dimethyl-1,3-cyclohexanedione 
• 125246-90-4 2-<(ethoxythiocarbonylthio)acetyl>-5,5-dimethyl-1,3-cyclohexanedione 
• 125246-88-0 3-amino-2-hydroxyacetyl-5,5-dimethyl-2-cyclohexen-1-one 

Relevant articles and documents

New Protocol for the Synthesis of 2-Alkanoyl- and 2-Aryloyl-5,5-dimethylcyclohexane-1,3-diones by the Reaction of Dimedone with Various Aldehydes and Cyanogen Bromide in the Presence of Triethylamine

A new route for the synthesis of 2-alkanoyl(aryloyl)-5,5-dimethylcyclohexane-1,3-diones as cyclic β-triketones is described. This synthesis was conducted by the reaction of dimedone with cyanogen bromide and triethylamine to form first the intermediate salt, followed by the addition of various aliphatic and aromatic aldehydes. The structures of the products were characterized by IR, 1H, and 13C NMR spectroscopic techniques. A reaction mechanism is proposed.

SYNTHESIS OF 2-CHLOROACETYL-1,3-CYCLOHEXANEDIONES AND THEIR REACTIONS WITH NUCLEOPHILIC REAGENTS

2-Chloroacetyl-1,3-cyclohexanediones were synthesized.Their reactions with sodium and silver acetates and sodium nitrite and methoxide lead to the formation of 3,4-dioxo-2,3,4,5,6,7-hexahydrobenzofurans.Their reaction with an excess of ammonia leads to