4571-27-1

Basic information

• Product Name: 2-chloro-1,3-diphenylpropane-1,3-dione
• Synonyms: 1,3-Propanedione, 2-chloro-1,3-diphenyl-
• CAS NO: 4571-27-1
• Molecular Formula: C₁₅H₁₁ClO₂
• Molecular Weight: 258.6996
• Mol File: 4571-27-1.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 411.6°C at 760 mmHg
• Flash Point: 173.9°C
• Density: 1.239g/cm³
• Vapor Pressure: 5.53E-07mmHg at 25°C
• Refractive Index: 1.592
• CAS DataBase Reference: 2-chloro-1,3-diphenylpropane-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-1,3-diphenylpropane-1,3-dione(4571-27-1)
• EPA Substance Registry System: 2-chloro-1,3-diphenylpropane-1,3-dione(4571-27-1)

Safety Data

• Hazardous Substances Data: 4571-27-1(Hazardous Substances Data)

Upstream product

• 2085-31-6 2-diazo-1,3-diphenylpropane-1,3-dione 
• 1393481-70-3 C₁₇H₁₄INO₅ 
• 838-57-3 ethyl 4-nitrobenzoylacetate 
• 72923-08-1 3-imino-1,3-diphenyl-N-(4-methylphenyl)-prop-1-enylamine 
• 71115-31-6 3-imino-1,3,N-triphenylprop-1-enylamine 
• 7647-01-0 hydrogenchloride 
• 861587-13-5 3,3-diethoxy-2-bromo-1,3-diphenyl-propan-1-one 
• 62961-62-0 (Z)-3-hydroxy-1,3-diphenyl-2-propen-1-one 
• 88039-17-2 2-chloro-3-imino-1,3-diphenyl-N-(p-tolyl)prop-1-enamine 
• 455-32-3 benzoyl fluoride 
• 65041-57-8 7,7-dichloro-1,6-diphenyl-2,5-dioxa-bicyclo[4.1.0]heptane 
• 120-46-7 1,3-diphenylpropanedione 

Downstream Products

• 93-58-3 benzoic acid methyl ester 
• 532-27-4 1-chloroacetophenone 
• 120-46-7 1,3-diphenylpropanedione 
• 944419-13-0 d₂-2-chloro-1-(phenyl)ethanone 
• 5221-40-9 N-(3-pyridinyl)benzamide 
• 611-73-4 Benzoylformic acid 
• 79344-03-9 3,5-diphenyl-4,4-dichloro-5-methoxy-Δ²-isoxazoline 
• 100-47-0 benzonitrile 
• 79344-05-1 3,5-diphenyl-4,4-dichloro-5-hydroxy-Δ²-isoxazoline 
• 19359-39-8 benzoyldichloroacetanilide 
• 525-82-6 FLAVONE 
• 108-95-2 phenol 

Relevant articles and documents

Investigations on the Photochemical Reaction Mechanisms of Selected Dibenzoylmethane Compounds

In this work, combined time-resolved spectroscopies of femtosecond transient absorption, nanosecond transient absorption, and DFT calculations were performed to unravel the photocyclization reaction mechanisms of selected dibenzoylmethane (DBM) derivatives, including 2-chloro-1,3-diphenylpropan-1,3-dione (1a), 2-chloro-1-(3,5-dimethoxyphenyl)-3-phenylpropan-1,3-dione (1b), 2-chloro-2-fluoro-1,3-diphenylpropan-1,3-dione (1c), and 2-chloro-2-fluoro-1,3-di(4-methoxyphenyl)propan-1,3-dione (1d). Photocyclization reaction mechanisms for 1a and 1b are similar, where a C-Cl heterolysis occurs yielding an α-ketocation intermediate, followed by cyclization to generate the cation species. On the other hand, 1c and 1d undergo dechlorination primarily producing a radical species, which further experiences cyclization yielding cyclized radical species. The dominant factor leading to the different reaction mechanisms is the involvement of a fluorine atom bonded at α-C. Due to the meta-effect, the p-methoxy substitution on the benzene ring inhibits the photocyclization reaction and reduces the yield of photocyclization.

Chlorination method of 1,3-dicarbonyl compound

The present invention relates to a chlorination method of 1,3-dicarbonyl compounds with structural formulas as shown below: The method steps: at -65 ° C -0 ° C the dichloromethane solution of oxalyl chloride is added dropwise to the dichloromethane soluti

Preparation, structure, and oxidative reactivity of (dichloroiodo)pyridines: Recyclable hypervalent iodine reagents

New pyridine-based hypervalent iodine reagents, (dichloroiodo)pyridines, were prepared by chlorination of 2-, 3-, or 4-iodopyridines with NaOCl-HCl at room temperature. Structures of 2-(dichloroiodo)pyridine and 2-(dichloroiodo)-3-propoxypyridine were established by X-ray crystallography. The new (dichloroiodo)pyridines can be used as efficient reagents for oxidation of alcohols to carbonyl compounds and also as chlorinating reagents. The reduced form of the reagents such as 2-iodo-3-propoxypyridine, can be recovered from the reaction mixture in good yields by an acid-base liquid-liquid biphasic protocol.