56052-14-3

Basic information

• Product Name: Heptanoic acid phenyl ester
• Synonyms: Heptanoic acid phenyl ester
• CAS NO: 56052-14-3
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• Mol File: 56052-14-3.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 285.4°C at 760 mmHg
• Flash Point: 104.3°C
• Appearance: /
• Density: 0.984g/cm³
• Vapor Pressure: 0.00281mmHg at 25°C
• Refractive Index: 1.491
• CAS DataBase Reference: Heptanoic acid phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Heptanoic acid phenyl ester(56052-14-3)
• EPA Substance Registry System: Heptanoic acid phenyl ester(56052-14-3)

Safety Data

• Hazardous Substances Data: 56052-14-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H18O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3

Upstream product

• 2528-61-2 Heptanoic acid chloride 
• 108-95-2 phenol 
• 111-14-8 oenanthic acid 
• 497-19-8 sodium carbonate 
• 592-41-6 1-hexene 
• 1864-94-4 phenyl formate 
• 626-27-7 n-heptanoic anhydride 
• 111-25-1 1-bromo-hexane 
• 201230-82-2 carbon monoxide 

Downstream Products

• 111-14-8 oenanthic acid 
• 38444-26-7 4-Hexyloxy-benzoic acid 4-heptyl-phenyl ester 
• 38444-24-5 4-Methoxy-benzoic acid 4-heptyl-phenyl ester 
• 38444-25-6 4-Butoxy-benzoic acid 4-heptyl-phenyl ester 
• 38444-23-4 4-Hexyl-benzoic acid 4-heptyl-phenyl ester 
• 38444-22-3 4'-heptylphenyl-4-butylbenzoate 
• 1987-50-4 p-heptylphenol 
• 187663-65-6 4-{(Z)-1-[4-(2-Diethylamino-ethoxy)-phenyl]-hept-1-enyl}-phenol 
• 14392-72-4 4-heptanoylphenol 
• 22362-59-0 1-(2-hydroxyphenyl)heptan-1-one 

Relevant articles and documents

Rhodium-Catalyzed Carbonylative Coupling of Alkyl Halides with Phenols under Low CO Pressure

A rhodium-catalyzed carbonylative transformation of alkyl halides under low pressure of CO has been developed. This robust catalyst system allows using phenols as the carbonylative coupling partner and, meanwhile, exhibits high functional group tolerance and good chemoselectivity. Substrates even with a large steric hindrance group or multiple reaction sites can be selectively converted into the desired products in good to excellent yields. A gram-scale experiment was performed and delivered an almost quantitative amount of the product. Control experiments were performed as well, and a possible reaction mechanism is proposed.

Metal-Free O-Arylation of Carboxylic Acid by Active Diaryliodonium(III) Intermediates Generated in situ from Iodosoarenes

The metal-free arylative coupling of carboxylic acids using iodosoarenes without the use of a catalyst and base, which is applicable to even a highly-polar molecule bearing multiple alcohol groups, is reported. The in situ preparation of the reactive diaryliodonium(III) carboxylates is the important key to this approach, and the introduction of the trimethoxybenzene auxiliary enables both the smooth salt formations and the selective aryl transfer events during the couplings. (Figure presented.).

METHOD FOR PRODUCING CARBOXYLIC ACID ANHYDRIDE AND METHOD FOR PRODUCING CARBOXYLIC ACID ESTER

Provided is a production method whereby corresponding carboxylic acid anhydrides and carboxylic acid esters can be obtained at high yield from various carboxylic acids even without a solvent and near room temperature. A method for producing a carboxylic acid anhydride represented by formula (II), the method comprising reacting a compound represented by formula (I) and a carboxylic acid in the presence of a Group II metal compound having an ionic ligand containing an oxygen atom. A method for producing a carboxylic acid ester, the method comprising reacting a carboxylic acid anhydride produced by the aforementioned method and an alcohol. In formula (I), R1 represents a C1-20 hydrocarbon group. In formula (II), R2 represents a C1-20 hydrocarbon group.