25017-08-7

Basic information

• Product Name: 4-Chlorovalerophenone
• Synonyms: 4-CHLOROVALEROPHENONE;4'-CHLOROPENTANOPHENONE;1-(4-CHLOROPHENYL)-1-PENTANONE;TIMTEC-BB SBB005774;P-CHLOROVALEROPHENONE;1-(4-chlorophenyl)pentan-1-one;1-Pentanone, 1-(4-chlorophenyl)-;1-(4-Chlorophenyl)pentane-1-one
• CAS NO: 25017-08-7
• Molecular Formula: C₁₁H₁₃ClO
• Molecular Weight: 196.67
• EINECS: 246-566-4
• Product Categories: Acetophenone Series
• Mol File: 25017-08-7.mol
• Article Data: 26

Chemical Properties

• Melting Point: 29-33 °C
• Boiling Point: 156 °C / 14mmHg
• Flash Point: 30 °C
• Appearance: white to yellow crystalline low melting solid
• Density: 1.0753 (rough estimate)
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.5364 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-Chlorovalerophenone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chlorovalerophenone(25017-08-7)
• EPA Substance Registry System: 4-Chlorovalerophenone(25017-08-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25
• RIDADR: 3077
• Hazardous Substances Data: 25017-08-7(Hazardous Substances Data)

Usage

Chemical Properties

white to yellow crystalline low melting solid

InChI:InChI=1/C11H13ClO/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3

Upstream product

• 623-03-0 4-Cyanochlorobenzene 
• 3115-66-0 tetra-n-butylphosphonium iodide 
• 680-31-9 N,N,N,N,N,N-hexamethylphosphoric triamide 
• 109-72-8 n-butyllithium 
• 104-88-1 4-chlorobenzaldehyde 
• 122-01-0 4-chloro-benzoyl chloride 
• 637-87-6 1-Chloro-4-iodobenzene 
• 638-29-9 n-valeryl chloride 
• 122334-37-6 4-chloro-N-methoxy-N-methylbenzamide 
• 13856-87-6 1-(p-chlorophenyl)-1-pentanol 
• 134573-99-2 1-(1-chloropentyl)-4-chlorobenzene 
• 201230-82-2 carbon monoxide 
• 1779-51-7 n-butyl(triphenyl)phosphonium bromide 
• 1085430-51-8 2-(4-chlorophenyl)hexanamide 

Downstream Products

• 109249-67-4 Butyl-hexyl-<4-chlor-phenyl>-carbinol 
• 144741-87-7 1-(p-chlorophenyl)-1-n-butyl epoxide 
• 91428-38-5 α-<4-Chlor-phenyl>-pentylamin 
• 66353-29-5 4-chloro-3-nitrovalerophenone 
• 426215-79-4 4-(4-chloro-phenyl)-5-propyl-thiazol-2-ylamine 
• 170647-89-9 2-(2-amino-4-chlorophenyl)-2-n-butyl-1,3-dithiane 
• 170647-90-2 2-n-butyl-2-(2-hydrazino-4-chlorophenyl)-1,3-dithiane 
• 170647-88-8 2-n-butyl-2-(4-chloro-2-nitrophenyl)-1,3-dithiane 
• 170647-91-3 5-n-butyl-2-<2-chloro-5-(2-n-butyl-1,3-dithian-2-yl)-phenyl>-2,4-dihydro-3H-1,2,4-triazol-3-one 
• 1025810-49-4 4'-[3-Butyl-1-(2-chloro-5-pentanoyl-phenyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-3'-fluoro-biphenyl-2-sulfonic acid amide 
• 170647-93-5 5-n-butyl-4-<<2'-(N-tert-butylsulfamoyl)-3-fluorobiphenyl-4-yl>methyl>-2-<2-chloro-5-valerylphenyl>-2,4-dihydro-3H-1,2,4-triazol-3-one 
• 170647-92-4 5-n-butyl-4-<<2'-(N-tert-butylsulfamoyl)-3-fluorobiphenyl-4-yl>methyl>-2-<2-chloro-5-(2-n-butyl-1,3-dithian-2-yl)-phenyl>-2,4-dihydro-3H-1,2,4-triazol-3-one 

Relevant articles and documents

Iridium Complexes as Efficient Catalysts for Construction of α-Substituted Ketones via Hydrogen Borrowing of Alcohols in Water

Ketones are of great importance in synthesis, biology, and pharmaceuticals. This paper reports an iridium complexes-catalyzed cross-coupling of alcohols via hydrogen borrowing, affording a series of α-alkylated ketones in high yield (86 %–95 %) and chemoselectivities (>99 : 1). This methodology has the advantages of low catalyst loading (0.1 mol%) and environmentally benign water as the solvent. Studies have shown the amount of base has a great impact on chemoselectivities. Meanwhile, deuteration experiments show water plays an important role in accelerating the reduction of the unsaturated ketones intermediates. Remarkably, a gram-scale experiment demonstrates this methodology of iridium-catalyzed cross-coupling of alcohols has potential application in the practical synthesis of α-alkylated ketones.

A simple synthesis of ketone from carboxylic acid using tosyl chloride as an activator

An effective process for the conversion of carboxylic acid to ketone has been discovered. In this process, carboxylic acid has been activated using p-toluene sulphonyl group. Under the optimized condition, aromatic, aliphatic heteroaromatic carboxylic acids have been proved to be good substrates for this methodology. The byproduct of this reaction can be removed very easily during work up process. Also, one equivalent of organometallic reagent is sufficient to complete this transformation.

Simple one pot synthesis of ketone from carboxylic acid using DCC as an activator

Simple one pot procedure for the conversion of carboxylic acid to ketone is described. Various carboxylic acids were converted to the corresponding ketones in excellent manner in presence of N,N′-dicyclohexylcarbodiimide (DCC) and organometallic reagents. Aromatic, heteroaromatic and aliphatic acids were converted to the corresponding ketones smoothly under the optimum conditions using organolithium reagents. In this process, desired products have been isolated from the crude reaction mixtures in moderate yields during the purification process.