20766-36-3

Basic information

• Product Name: 3-CHLOROBENZYLIDENEACETONE
• Synonyms: 4-(3-CHLOROPHENYL)BUT-3-EN-2-ONE;3-CHLOROBENZYLIDENEACETONE;LABOTEST-BB LT00453525;1-(3-CHLOROPHENYL)BUT-1-EN-3-ONE;3-Buten-2-one,4-(3-chlorophenyl)-
• CAS NO: 20766-36-3
• Molecular Formula: C₁₀H₉ClO
• Molecular Weight: 180.63
• Mol File: 20766-36-3.mol
• Article Data: 35

Chemical Properties

• Melting Point: 28-29 °C
• Boiling Point: 123-125°C 1mm
• Flash Point: 123-125°C/1mm
• Appearance: /
• Density: 1.157g/cm³
• Vapor Pressure: 0.000965mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: 3-CHLOROBENZYLIDENEACETONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLOROBENZYLIDENEACETONE(20766-36-3)
• EPA Substance Registry System: 3-CHLOROBENZYLIDENEACETONE(20766-36-3)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 20766-36-3(Hazardous Substances Data)

Usage

General Description

3-Chlorobenzylideneacetone, also known as 1-(3-chlorophenyl)pentane-1,3-dione, is a chemical compound that belongs to the class of aromatic ketones. It is often used in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. This yellow crystalline solid is used as a key intermediate in the production of fine chemicals and is also employed as a building block in the manufacture of dyes, perfumes, and other specialty chemicals. However, it is important to note that 3-Chlorobenzylideneacetone should be handled with care due to its potential hazards, including its irritant and toxic properties. Proper safety precautions and handling procedures should be followed when working with this chemical.

InChI:InChI=1/C10H9ClO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3/b6-5+

Upstream product

• 587-04-2 m-Chlorobenzaldehyde 
• 67-64-1 acetone 
• 1439-36-7 1-triphenylphosphoranylidene-2-propanone 
• 3506-73-8 1-(3-chlorophenyl)butan-3-one 
• 123-42-2 4-Hydroxy-4-methyl-2-pentanone 
• 1454271-81-8 C₁₀H₈ClFO 
• 456-39-3 3-chlorobenzenediazonium tetrafluoroborate 
• 78-94-4 methyl vinyl ketone 
• 108-42-9 3-chloro-aniline 
• 79-46-9 2-nitropropane 
• 141-97-9 ethyl acetoacetate 
• 930769-45-2 (+/-)-4-(3-chlorophenyl)-2-azetidinone 
• 71-43-2 benzene 

Downstream Products

• 1194653-85-4 (1S,2S,6R)-6'-chloro-2-(3-chlorophenyl)-6-isobutylspiro[cyclohexane-1,3'-indoline]-2',4-dione 
• 1194653-92-3 (1S,2S,6R)-6'-chloro-2-(3-chlorophenyl)-6-ethylspiro[cyclohexane-1,3'-indoline]-2',4-dione 
• 1194653-93-4 (1R,2R,6S)-6'-chloro-2-(3-chlorophenyl)-6-ethylspiro[cyclohexane-1,3'-indoline]-2',4-dione 
• 132294-96-3 (R)-3-[1-(3-chlorophenyl)-3-oxobutyl]-4-hydroxy-chromen-2-one 
• 132295-91-1 (S)-3-[1-(3-chlorophenyl)-3-oxobutyl]-4-hydroxy-chromen-2-one 
• 1201528-06-4 (R)-4-(3-chlorophenyl)-4-(4,7-dihydro-1H-indol-2-yl)butan-2-one 
• 21613-55-8 trans-1-<3-Chlor-phenyl>-but-1-en-3-on-β-oxim 
• 21613-54-7 trans-1-<3-Chlor-phenyl>-but-1-en-3-on-α-oxim 
• 1092986-10-1 (E)-4-(3-chlorophenyl)but-3-en-2-ol 
• 3506-73-8 1-(3-chlorophenyl)butan-3-one 
• 1236556-98-1 (S)-9-(1-(3-chlorophenyl)-3-oxobutyl)anthracen-10(9H)-one 
• 1258207-00-9 C₁₂H₁₂ClN₃O 
• 1262207-48-6 C₂₅H₂₂ClNO₂ 
• 1279693-05-8 4-(3-chlorophenyl)-5-nitro-6-phenylhept-6-en-2-one 

Relevant articles and documents

Reaction of 4-hydroxycoumarin with 2-acetyloxiranes

The reaction of 4-hydroxycoumarin with 2-acetyloxiranes in dimethylformamide in the presence of triethylamine gave 2,3-dihydro-4H-furo[3,2- c]chromen-4-ones which were converted into 4H-furo[3,2-c]-chromen-4-one derivatives as a result of dehydration or f

8-Hydroxyquinolin-2(1H)-one analogues as potential β2-agonists: Design, synthesis and activity study

β2-Agonists that bind to plasmalemmal β2-adrenoceptors causing cAMP accumulation are widely used as bronchodilators in chronic respiratory diseases. Here, we designed and synthesized a group of 8-hydroxyquinolin-2(1H)-one analogues and studied their β2-agonistic activities with a cellular cAMP assay. Compounds B05 and C08 were identified as potent (EC50 2-agonists among the compounds tested. They behaved as partial β2-agonists in non-overexpressed HEK293 cells, and possessed rapid smooth muscle relaxant actions and long duration of action in isolated guinea pig tracheal strip preparations. In summary, B05 and C08 are β2-agonists with potential applicability in chronic respiratory diseases.

RhIII-Catalyzed Synthesis of Highly Substituted 2-Pyridones using Fluorinated Diazomalonate

A RhIII-catalyzed strategy was developed for the rapid construction of highly substituted 2-pyridone scaffolds using α,β-unsaturated oximes and fluorinated diazomalonate. The reaction proceeds through direct, site-selective alkylation based on migratory insertion and subsequent cyclocondensation. A wide substrate scope with different functional groups was explored. The requirement of fluorinated diazomalonate was explored for this transformation. The developed methodology was further extended with the synthesis of the bioactive compound.