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6-Benzoylhexanoic acid, also known as phenylacetylcarbinol, is a chemical compound with the molecular formula C14H14O3. It is a white solid with a melting point of 112-114°C and is sparingly soluble in water but soluble in organic solvents. This versatile compound serves as a chiral building block in the synthesis of various pharmaceuticals and agrochemicals, and is also utilized in the synthesis of chiral aromatic heterocycles and vitamin E derivatives. Its applications extend to catalysis in organic reactions and as a flavoring agent in the food and beverage industry.

7472-43-7

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7472-43-7 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
6-Benzoylhexanoic acid is used as a chiral building block for the synthesis of various pharmaceuticals and agrochemicals. Its unique chiral properties enable the creation of enantiomerically pure compounds, which are essential for the development of effective and safe drugs and pesticides.
Used in the Synthesis of Chiral Aromatic Heterocycles:
6-Benzoylhexanoic acid is employed as a key intermediate in the synthesis of chiral aromatic heterocycles. These heterocycles are important structural motifs in many biologically active compounds and have potential applications in medicinal chemistry and materials science.
Used in the Synthesis of Vitamin E Derivatives:
6-Benzoylhexanoic acid is utilized in the synthesis of vitamin E derivatives, which are essential antioxidants that play a crucial role in maintaining human health. The ability to produce vitamin E derivatives with high purity and chiral selectivity is vital for their use in dietary supplements and pharmaceutical formulations.
Used as a Catalyst in Organic Reactions:
6-Benzoylhexanoic acid serves as a catalyst in various organic reactions, facilitating the formation of desired products with improved efficiency and selectivity. Its use as a catalyst can help reduce reaction times, minimize side reactions, and enhance the overall yield of the target compounds.
Used in the Food and Beverage Industry:
6-Benzoylhexanoic acid is used as a flavoring agent in the food and beverage industry. Its unique taste and aroma properties contribute to the development of new and innovative food products, enhancing the sensory experience for consumers.

Check Digit Verification of cas no

The CAS Registry Mumber 7472-43-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,4,7 and 2 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 7472-43:
(6*7)+(5*4)+(4*7)+(3*2)+(2*4)+(1*3)=107
107 % 10 = 7
So 7472-43-7 is a valid CAS Registry Number.
InChI:InChI=1/C13H16O3/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-13(15)16/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,16)

7472-43-7 Well-known Company Product Price

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  • Alfa Aesar

  • (L08431)  6-Benzoylhexanoic acid, 94%   

  • 7472-43-7

  • 1g

  • 544.0CNY

  • Detail
  • Alfa Aesar

  • (L08431)  6-Benzoylhexanoic acid, 94%   

  • 7472-43-7

  • 5g

  • 1945.0CNY

  • Detail

7472-43-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-oxo-7-phenylheptanoic acid

1.2 Other means of identification

Product number -
Other names 7-Oxo-7-phenyl-heptansaeure

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:7472-43-7 SDS

7472-43-7Relevant academic research and scientific papers

Controlling Chemoselectivity of Catalytic Hydroboration with Light

Bergamaschi, Enrico,Chen, Yi-Kai,Hohenadel, Melissa,Lunic, Danijela,McLean, Liam A.,Teskey, Christopher J.

, (2022/01/13)

The ability to selectively react one functional group in the presence of another underpins efficient reaction sequences. Despite many designer catalytic systems being reported for hydroboration reactions, which allow introduction of a functional handle fo

Visible Light-Driven, Copper-Catalyzed Aerobic Oxidative Cleavage of Cycloalkanones

Xin, Hong,Duan, Xin-Hua,Yang, Mingyu,Zhang, Yiwen,Guo, Li-Na

, p. 8263 - 8273 (2021/06/30)

A visible light-driven, copper-catalyzed aerobic oxidative cleavage of cycloalkanones has been presented. A variety of cycloalkanones with varying ring sizes and various α-substituents reacted well to give the distal keto acids or dicarboxylic acids with moderate to good yields.

Ir(NHC)-Catalyzed Synthesis of β-Alkylated Alcohols via Borrowing Hydrogen Strategy: Influence of Bimetallic Structure

Sung, Kihyuk,Lee, Mi-hyun,Cheong, Yeon-Joo,Kim, Yu Kwon,Yu, Sungju,Jang, Hye-Young

supporting information, p. 3090 - 3097 (2021/05/10)

Multi N-heterocyclic carbene(NHC)-modified iridium catalysts were employed in the β-alkylation of alcohols; dimerization of primary alcohols (Guerbet reaction), cross-coupling of secondary and primary alcohols, and intramolecular cyclization of alcohols. Mechanistic studies of Guerbet reaction, including kinetic experiments, mass analysis, and density functional theory (DFT) calculation, were employed to explain the fast reaction promoted by bimetallic catalysts, and the dramatic reactivity increase of monometallic catalysts at the late stage of the reaction. (Figure presented.).

Inter- and intramolecular hydroacylation of alkenes employing a bifunctional catalyst system

Vautravers, Nicolas R.,Regent, Damien D.,Breit, Bernhard

supporting information; experimental part, p. 6635 - 6637 (2011/06/27)

Based on a conceptually innovative bifunctional P,N ligand, an efficient protocol for the rhodium-catalyzed inter- and intramolecular hydroacylation of alkenes has been developed.

Oxidative cleavage of alkenes using an in situ generated iodonium ion with oxone as a terminal oxidant

Thottumkara, Prem P.,Vinod, Thottumkara K.

supporting information; experimental part, p. 5640 - 5643 (2011/02/27)

A facile and operationally convenient catalytic procedure for oxidative cleavage of alkenes is described. In situ formed [hydroxy(4-carboxyphenyl) iodonium]ion, 2, from the oxidation of 4-iodobenzoic acid, 1, has been shown to facilitate the cleavage of a variety of alkenes in presence of Oxone as a co-oxidant. Optimization of the reaction conditions using 1-phenyl-1- cyclohexene, 3, and the competitive oxidative cleavage of different substrates using the optimized conditions has uncovered important mechanistic details of the reaction.

Retro-claisen condensation with FeIII as catalyst under solvent-free conditions

Rao, Chitturi Bhujanga,Rao, Dasireddi Chandra,Babu, Dokuburra Chanti,Venkateswarlu, Yenamandra

supporting information; experimental part, p. 2855 - 2859 (2010/08/05)

An iron(III) salt catalyzed retro-Claisen condensation between an alcohol and a 1,3-diketone was investigated. The mechanism involves the formation of a metal-induced sixmembered cyclic transition state and cleavage of the C sp2-Csp3 bond. Regioselective esterification and one-pot couversion of silyl ethers into esters with good yields was observed. Simple reaction conditions, high yields, and broad scope of the reaction illustrate the good synthetic utility of this method.

Benzylic carbon oxidation by an in situ formed o-iodoxybenzoic acid (IBX) derivative

Ojha, Lawanya R.,Kudugunti, Shashi,Maddukuri, Padma P.,Kommareddy, Amitha,Gunna, Meena R.,Dokuparthi, Praveen,Gottam, Hima B.,Botha, Kiran K.,Parapati, Divya R.,Vinod, Thottumkara K.

scheme or table, p. 117 - 121 (2009/05/30)

Benzylic C-H bonds are selectively oxidized to the corresponding carbonyl functionalities using catalytic quantities of 2-iodobenzoic acid (2IBAcid) and Oxone. The reported procedure tolerates different functional groups and operates under mild conditions. A radical mechanism is proposed for the transformation and evidence supporting the proposed mechanism is also presented. Georg Thieme Verlag Stuttgart.

Nickel-catalyzed carboxylation of organozinc reagents with CO2

Ochiai, Hidenori,Jang, Minsul,Hirano, Koji,Yorimitsu, Hideki,Oshima, Koichiro

scheme or table, p. 2681 - 2683 (2009/05/26)

(Chemical Equation Presented) An efficient nickel catalyst system for the carboxylation of organozinc reagents with CO2 under very mild conditions has been developed. The catalyst system complements the conventional methods and enables the dire

Reactions between weinreb amides and 2-magnesiated oxazoles: A simple and efficient preparation of 2-acyl oxazoles

Pippel, Daniel J.,Mapes, Christopher M.,Mani, Neelakandha S.

, p. 5828 - 5831 (2008/02/09)

(Chemical Equation Presented) Treatment of oxazole or 5-aryl oxazoles with i-PrMgCl smoothly generates the corresponding 2-Grignard reagents, which react with Weinreb amides to provide exclusively 2-acyl oxazole products.

Structurally simple trichostatin A-like straight chain hydroxamates as potent histone deacetylase inhibitors

Woo, Soon Hyung,Frechette, Sylvie,Khalil, Elie Abou,Bouchain, Giliane,Vaisburg, Arkadii,Bernstein, Naomy,Moradei, Oscar,Leit, Silvana,Allan, Martin,Fournel, Marielle,Trachy-Bourget, Marie-Claude,Li, Zuomei,Besterman, Jeffrey M.,Delorme, Daniel

, p. 2877 - 2885 (2007/10/03)

A series of new, structurally simple trichostatin A (TSA)-like straight chain hydroxamates were prepared and evaluated for their ability to inhibit partially purified human histone deacetylase 1 (HDAC-1). Some of these compounds such as 8m, 8n, 12, and 15

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