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Hexanoyl fluoride, also known as caproyl fluoride, is a chemical compound that consists of six carbon atoms and a fluorine atom. It is a colorless liquid with a sharp, pungent odor and is highly reactive due to the presence of the fluoride group. Hexanoyl fluoride is used in the synthesis of pharmaceuticals, agrochemicals, and various organic compounds. It is flammable and may release toxic fumes when heated, so it should be handled and stored with caution. Hexanoyl fluoride is primarily used as an intermediate in the production of other compounds and is not commonly found in consumer products.

372-80-5

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372-80-5 Usage

Uses

Used in Pharmaceutical Industry:
Hexanoyl fluoride is used as an intermediate in the synthesis of pharmaceuticals for its reactivity and ability to form various organic compounds.
Used in Agrochemical Industry:
Hexanoyl fluoride is used as an intermediate in the production of agrochemicals, contributing to the development of effective pesticides and other agricultural products.
Used in Organic Compounds Synthesis:
Hexanoyl fluoride is used as a reagent in the synthesis of various organic compounds due to its high reactivity and ability to form different chemical structures.

Check Digit Verification of cas no

The CAS Registry Mumber 372-80-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,7 and 2 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 372-80:
(5*3)+(4*7)+(3*2)+(2*8)+(1*0)=65
65 % 10 = 5
So 372-80-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H11FO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

372-80-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name hexanoyl fluoride

1.2 Other means of identification

Product number -
Other names Hexanoylfluorid

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:372-80-5 SDS

372-80-5Relevant academic research and scientific papers

N-Hydroxybenzimidazole as a structurally modifiable platform forN-oxyl radicals for direct C-H functionalization reactions

Hatanaka, Miho,Jiang, Julong,Maruoka, Keiji,Matsumoto, Akira,Sakamoto, Ryu,Sakurai, Shunya,Tsuzuki, Saori,Yoshii, Tomomi

, p. 5772 - 5778 (2020/06/22)

Methods for direct functionalization of C-H bonds mediated byN-oxyl radicals constitute a powerful tool in modern organic synthesis. While severalN-oxyl radicals have been developed to date, the lack of structural diversity for these species has hampered further progress in this field. Here we designed a novel class ofN-oxyl radicals based onN-hydroxybenzimidazole, and applied them to the direct C-H functionalization reactions. The flexibly modifiable features of these structures enabled facile tuning of their catalytic performance. Moreover, with these organoradicals, we have developed a metal-free approach for the synthesis of acyl fluoridesviadirect C-H fluorination of aldehydes under mild conditions.

Homogeneous catalytic hydrogenation of perfluoro methyl esters

Lazzari, Dario,Cassani, Maria Cristina,Bertola, Maurizio,Moreno, Francisco Casado,Torrente, Damiano

, p. 15582 - 15584 (2013/09/12)

The first example of perfluoroalkyl methyl ester RfC(O)OMe (Rf = C3F7, C5F11) reduction by homogeneous catalytic hydrogenation with the ruthenium catalyst Ru-MACHO is herein reported. The hydrogenation process leads to the corresponding perfluorinated alcohols thus replacing sodium borohydride that has so far represented the state of art in perfluoro ester reduction.

Oxidation of primary aliphatic and aromatic aldehydes with difluoro(aryl)-λ3-bromane

Ochiai, Masahito,Yoshimura, Akira,Hoque, Md. Mahbubul,Okubo, Takuji,Saito, Motomichi,Miyamoto, Kazunori

supporting information; experimental part, p. 5568 - 5571 (2011/12/03)

Oxidation of primary aliphatic aldehydes with p- trifluoromethylphenyl(difluoro)-λ3-bromane in dichloromethane at 0 °C afforded acid fluorides selectively in good yields, while that of aromatic aldehydes in chloroform at room temperature produced aryl difluoromethyl ethers. A larger migratory aptitude of aryl groups compared to primary alkyl groups during a 1,2-shift from carbon to an electron-deficient oxygen atom in bromane(III) Criegee-type intermediates will result in these differences in the reaction courses.

Reactions of caesium fluoroxysulphate with organic molecules part 25 1. Reactions with ethers

Stavber, Stojan,Kosir, Iztok,Zupan, Marko

, p. 183 - 186 (2007/10/03)

The reactions of caesium fluoroxysulphate in MeCN suspension at room temperature with di-benzyl, di-alkyl or benzyl-alkyl ethers resulted in oxidative cleavage of the ethers forming pairs of corresponding aldehydes and alcohols, which could be further transformed into acid fluorides under the reaction conditions used. Di-benzyl ether was thus transformed to a mixture of benzyl alcohol, benzaldehyde and benzoyl fluoride as the main products and benzyl benzoate as the a minor one, while di-n-hexyl ether resulted in a mixture of n-hexanol, hexanal, hexanoyl fluoride and hexyl hexanoate. The reaction of benzyl hexyl ether resulted in a mixture of benzaldehyde, benzoyl fluoride and hexanol as the main, and benzyl alcohol, hexanal, hexanoyl fluoride and hexyl benzoate as the minor products. A reaction mechanism including radical intermediates was proposed.

Selective Electrochemical Formyl Hydrogen-Exchange Fluorination of Aliphatic Aldehydes to Prepare Acyl Fluorides Using HF-Base Solutions

Yoneda, Norihiko,Chen, Sheng-Qi,Hatakeyama, Tsuyoshi,Hara, Syoji,Fukuhara, Tsuyoshi

, p. 849 - 850 (2007/10/02)

The selective displacement of formyl hydrogen to fluorine in aliphatic aldehydes was successfully carried out electrochemically to give acyl fluorides in base-nHF (base: pyridine or Et3N, n=3-6) electrolyte solution with or without solvents such as acetonitrile and sulfolane.

MILD CONVERSION OF PRIMARY ALCOHOLS AND ALDEHYDES TO ACID FLUORIDES WITH CAESIUM FLUOROXYSULPHATE

Stavber, Stojan,Planinsek, Zdenka,Zupan, Marko

, p. 6095 - 6096 (2007/10/02)

Caesium fluoroxysulphate in acetonitrile medium at 35 deg C converts primary alcohols and alkyl, as well as aryl aldehydes, to acid fluorides in high yield.

FLUORIERUNGSEIGENSCHAFTEN VON WF6

Haas, A.,Maciej, Th.

, p. 581 - 588 (2007/10/02)

WF6 reacts with aliphatic carbonyl- or carboxyl derivates to form the corresponding difluorides or carbonic acid fluorides.Fluorination of carbonyl compounds makes the presence of a Lewis acid like BF3 necessary.Trifluoromethyl compounds are not available in this way.Selective fluorination of alcoholes with WF6 is not possible.

Reactions of Perfluoro-2-methyl-2-pentene with Carboxylic Acids, Alcohols, and Some Cyclic Amides. A New Fluorinating Reagent

Yanagida, Shozo,Noji, Yukihiro,Okahara, Mitsuo

, p. 1151 - 1158 (2007/10/02)

Perfluoro-2-methyl-2-pentene (PMP) reacts with carboxylic acids, alcohols, and 2-pyridone, giving Michael-type addition products, 1,1,1,3,4,4,5,5,5-nonafluoro-2-trifluoromethyl-3-acyloxypentane, 1,1,1,3,4,4,5,5,5-nonafluoro-2-trifluoromethyl-3-alkoxypentane, 1,1,1,3,4,4,5,5,5-nonafluoro-2-trifluoromethyl-3(2-pyridyloxy)pentane, respectively, in good yields.In the presence of bases, carboxylic acids give acid fluorides, 1,1,1,4,4,5,5,5-octafluoro-2-trifluoromethyl-3-pentanone, and 1,1,1,4,4,5,5,5-octafluoro-2-trifluoromethyl-3-acyloxy-2-pentene (4), the yields changing with base, solvent, phase-transfer catalyst, and their combination.In the presence of triethylamine, fluorination occurs exclusively, producing acid fluorides in good yields.Alcohols and 2-pyridone are converted into alkyl fluorides and 2-fluoropyridine, respectively, with use of triethylamine as a base with an aprotic solvent.The reaction of PMP with 4-pyridone and 6-chloro-2-ethyl-5-methyl-4(3H)-pyrimidone were also examined.The fluorination reactions were rationalized by preferential replacement of the vinylic fluorine of PMP and a good leaving function of the perfluoro enol group of the intermediates such as 4.

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