128486-09-9

Basic information

• Product Name: 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE
• Synonyms: 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE;1-(3-Chlorophenyl)-1,3-butanedione
• CAS NO: 128486-09-9
• Molecular Formula: C₁₀H₉ClO₂
• Molecular Weight: 196.63
• Mol File: 128486-09-9.mol
• Article Data: 12

Chemical Properties

• Melting Point: 40-43 °C
• Boiling Point: 310.2°C at 760 mmHg
• Flash Point: 130.3°C
• Appearance: /
• Density: 1.205g/cm³
• Vapor Pressure: 0.000609mmHg at 25°C
• Refractive Index: 1.531
• PKA: 8.14±0.10(Predicted)
• CAS DataBase Reference: 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE(128486-09-9)
• EPA Substance Registry System: 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE(128486-09-9)

Safety Data

• Hazardous Substances Data: 128486-09-9(Hazardous Substances Data)

Usage

General Description

1-(3-chloro-phenyl)-butane-1,3-dione, also known as 3-chloroacetophenone, is a chemical compound with the formula C10H11ClO. It is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. The compound is a yellowish crystalline powder with a pungent, irritating odor and is soluble in organic solvents. It is often used in the production of insecticides, herbicides, and other agricultural chemicals. Additionally, it has been identified as a potential chemical weapon precursor and is subject to regulation under the Chemical Weapons Convention. Due to its potential for misuse, it is tightly controlled and monitored by regulatory agencies.

InChI:InChI=1/C10H9ClO2/c1-7(12)5-10(13)8-3-2-4-9(11)6-8/h2-4,6H,5H2,1H3

Upstream product

• 79-20-9 acetic acid methyl ester 
• 99-02-5 3'-Chloroacetophenone 
• 1128-76-3 3-chloro-benzoic acid ethyl ester 
• 67-64-1 acetone 
• 55655-84-0 1-[3-(trifluoromethyl)phenyl]butane-1,3-dione 
• 141-78-6 ethyl acetate 
• 618-46-2 m-Chlorobenzoyl chloride 
• 123-54-6 acetylacetone 

Downstream Products

• 910025-65-9 C₁₈H₁₅ClN₂O₂S 
• 878978-39-3 1-(3-chlorophenyl)-2-(toluene-4-sulfonyl)ethanone 
• 535-80-8 3-chlorobenzoate 
• 104278-22-0 2-(acetonyl)-3'-(chloro)-4,5-di-(methoxy)-benzophenone 
• 1260162-66-0 N-(3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide 
• 681180-56-3 1-(3-chlorophenyl)-2-(hydroxyimino)butane-1,3-dione 
• 1228180-64-0 3,4-bis(3-chlorobenzoyl)hexane-2,5-dione 

Relevant articles and documents

I2-Promoted [3+2] Cyclization of 1,3-Diketones with Potassium Thiocyanate: a Route to Thiazol-2(3H)-One Derivatives

An I2-promoted strategy has been developed for the synthesis of thiazol-2(3H)-one derivatives from 1,3-diketones with potassium thiocyanate. This [3+2] cyclization reaction involves C?S and C?N bond formation and exhibits good functional group tolerance. A series of thiazol-2(3H)-one derivatives are obtained in moderate to good yields. (Figure presented.).

Direct synthesis of 2,3,5-trisubstituted pyrroles: via copper-mediated one-pot multicomponent reaction

We have developed a copper-mediated one-pot synthesis of 2,3,5-trisubstituted pyrroles from 1,3-dicarbonyl compounds and acrylates using ammonium acetate as a nitrogen source. The reaction achieves C-C and C-N bond formation and provides an efficient approach to access highly functionalized pyrroles without further raw material preparation. This method is operationally simple, compatible with a wide range of functional groups, and provides the target products in moderate to good yields. This journal is

O -Iodoxybenzoic Acid (IBX)-Iodine Mediated One-Pot Deacylative Sulfonylation of 1,3-Dicarbonyl Compounds: A Synthesis of β-Carbonyl Sulfones

A combination of o-iodoxybenzoic acid (IBX) and a catalytic amount of iodine is found to promote a facile one-pot deacylative sulfonylation reaction of 1,3-dicarbonyl compounds with sodium sulfinates to yield β-carbonyl sulfones. The present method provides the target products bearing a wide variety of functional groups in one step and in good yields.