7780-16-7

Basic information

• Product Name: Caproic acid phenyl ester
• Synonyms: Caproic acid phenyl ester;Hexanoic acid phenyl ester
• CAS NO: 7780-16-7
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• Mol File: 7780-16-7.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Caproic acid phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Caproic acid phenyl ester(7780-16-7)
• EPA Substance Registry System: Caproic acid phenyl ester(7780-16-7)

Safety Data

• Hazardous Substances Data: 7780-16-7(Hazardous Substances Data)

Upstream product

• 142-61-0 Hexanoyl chloride 
• 108-95-2 phenol 
• 100-66-3 methoxybenzene 
• 142-62-1 hexanoic acid 
• 4279-76-9 phenoxyacetylene 
• 98-80-6 phenylboronic acid 
• 100-67-4 potassium phenolate 
• 7647-01-0 hydrogenchloride 
• 854256-13-6 (hex-1-yn-1-yloxy)benzene 
• 1600-27-7 mercury(II) diacetate 
• 32579-21-8 cis-BrCHCHOPh 
• 164594-13-2 Phenyl[2-(trimethylsilyl)phenyl]iodonium trifluoromethanesulfonate 

Downstream Products

• 142-62-1 hexanoic acid 
• 108-95-2 phenol 
• 3144-54-5 4-hexanoylresorcinol 
• 204859-45-0 1-(2-Hydroxy-phenyl)-hexan-1-one oxime 
• 2589-72-2 1-(4-hydroxy-phenyl)-hexan-1-one 
• 3226-15-1 1-(2-hydroxyphenyl)hexan-1-one 
• 38444-18-7 4-Hexyloxy-benzoic acid 4-hexyl-phenyl ester 
• 38444-17-6 4-Butoxy-benzoic acid 4-hexyl-phenyl ester 
• 38444-16-5 4-Hexylphenyl 4-methoxybenzoate 
• 18102-14-2 5-hexylsalicylaldehyde 
• 2446-69-7 p-hexylphenol 

Relevant articles and documents

Direct C-C Bond Formation from Alkanes Using Ni-Photoredox Catalysis

A method for direct cross coupling between unactivated C(sp3)-H bonds and chloroformates has been accomplished via nickel and photoredox catalysis. A diverse range of feedstock chemicals, such as (a)cyclic alkanes and toluenes, along with late-stage intermediates, undergo intermolecular C-C bond formation to afford esters under mild conditions using only 3 equiv of the C-H partner. Site selectivity is predictable according to bond strength and polarity trends that are consistent with the intermediacy of a chlorine radical as the hydrogen atom-abstracting species.

Comparisons of O-acylation and Friedel-Crafts acylation of phenols and acyl chlorides and Fries rearrangement of phenyl esters in trifluoromethanesulfonic acid: Effective synthesis of optically active homotyrosines

Reactions involving phenol derivatives and acyl chlorides have to be controlled for competitive O-acylations and C-acylations (Friedel-Crafts acylations and Fries rearrangements) in acidic condition. The extent for these reactions in trifluoromethanesulfonic acid (TfOH), which is used as catalyst and solvent, is examined. Although diluted TfOH was needed for effective O-acylation, concentrated TfOH was required for effective C-acylations in mild condition. These results have been applied to the novel synthesis of homotyrosine derivatives. Both Fries rearrangement of N-TFA-Asp(OBn)-OMe and Friedel-Crafts acylation of phenol with N-TFA-Asp(Cl)-OMe in TfOH afforded the homotyrosine skeleton, followed by reduction and deprotection afforded homotyrosines maintaining stereochemistry of Asp as an optically pure form.

An eco-friendly method for the synthesis of aryl and alkyl esters of carboxylic acids using acid activated Indian bentonite

Esterification of various carboxylic acids with phenol and alcohols has been achieved using acid activated Indian bentonite (AAIB) as catalyst. The catalyst is versatile, and the reaction is found to work well for primary, secondary and tertiary alcohols. The yields are very good under specific reaction conditions.