816-11-5

Basic information

• Product Name: methyl 2-ethylbutyrate
• Synonyms: methyl 2-ethylbutyrate;2-Ethylbutyric acid methyl ester
• CAS NO: 816-11-5
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.18486
• EINECS: 212-428-7
• Mol File: 816-11-5.mol
• Article Data: 12

Chemical Properties

• Melting Point: -71°C (estimate)
• Boiling Point: 140.89°C (estimate)
• Flash Point: 33.4°C
• Appearance: /
• Density: 0.8795
• Vapor Pressure: 7.85mmHg at 25°C
• Refractive Index: 1.4067
• CAS DataBase Reference: methyl 2-ethylbutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-ethylbutyrate(816-11-5)
• EPA Substance Registry System: methyl 2-ethylbutyrate(816-11-5)

Safety Data

• Hazardous Substances Data: 816-11-5(Hazardous Substances Data)

Usage

General Description

Methyl 2-ethylbutyrate is a chemical compound with the molecular formula C7H14O2. It is a clear, colorless liquid with a fruity odor, and is commonly used as a flavoring agent in the food and beverage industry. Methyl 2-ethylbutyrate is naturally found in fruits such as apples, oranges, and pineapples, and is also used in synthetic fruit flavorings. It is known for its sweet and fruity aroma, and is often used in perfumes and air fresheners. Additionally, it is a volatile compound that evaporates easily, making it suitable for use in a variety of applications including fragrances, flavors, and other consumer products.

InChI:InChI=1/C7H14O2/c1-4-6(5-2)7(8)9-3/h6H,4-5H2,1-3H3

Upstream product

• 67-56-1 methanol 
• 88-09-5 2-Ethylbutanoic acid 
• 85153-63-5 2,2-diethyl-acetoacetic acid methyl ester 
• 2736-40-5 chlorure d'acide ethyl-2 butyrique 
• 872-45-7 1-methyl-2,3-dihydro-1H-phosphole 1-oxide 
• 27132-23-6 diethylmalonic acid dimethyl ester 
• 1821-12-1 4-Phenylbutyric acid 
• 51756-08-2 methyl 2-ethyl-3-oxobutanoate 
• 105-45-3 acetoacetic acid methyl ester 
• 2399-18-0 bromo-2 ethyl-2 butyrate d'methyle 
• 623-42-7 butanoic acid methyl ester 
• 75-03-6 ethyl iodide 

Downstream Products

• 623-43-8 crotonic acid methyl ester 
• 6137-03-7 3-ethyl-2-pentanone 
• 60631-27-8 2-Ethyl-2-(4-methyl-benzyl)-butyric acid methyl ester 
• 60631-40-5 2,2-Diaethyl-3-(p-tolyl)-propionsaeurechlorid 
• 60631-32-5 2,2-Diaethyl-3-(p-tolyl)-propionsaeure 
• 1613614-64-4 C₂₂H₂₂N₂O 
• 1613614-49-5 2-benzyl-2-ethyl-N-(quinolin-8-yl)butanamide 

Relevant articles and documents

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Iodoarene-Catalyzed Oxyamination of Unactivated Alkenes to Synthesize 5-Imino-2-Tetrahydrofuranyl Methanamine Derivatives

Reported here is the room-temperature metal-free iodoarene-catalyzed oxyamination of unactivated alkenes. In this process, the alkenes are difunctionalized by the oxygen atom of the amide group and the nitrogen in an exogenous HNTs2 molecule. This mild and open-air reaction provided an efficient synthesis to N-bistosyl-substituted 5-imino-2-tetrahydrofuranyl methanamine derivatives, which are important motifs in drug development and biological studies. Mechanistic study based on experiments and density functional theory calculations showed that this transformation proceeds via activation of the substrate alkene by an in situ generated cationic iodonium(III) intermediate, which is subsequently attacked by an oxygen atom (instead of nitrogen) of amides to form a five-membered ring intermediate. Finally, this intermediate undergoes an SN2 reaction by NTs2 as the nucleophile to give the oxygen and nitrogen difunctionalized 5-imino-2-tetrahydrofuranyl methanamine product. An asymmetric variant of the present alkene oxyamination using chiral iodoarenes as catalysts also gave promising results for some of the substrates.

Preparation method of remdesivir intermediate 2-ethyl-1-butanol

The invention relates to a preparation method of a remdesivir intermediate 2-ethyl-1-butanol. The preparation method comprises a step of substitution reaction, namely a step of carrying out a substitution reaction on alkyl acetoacetate and halogenated ethane under an alkaline condition to obtain alkyl 2-ethyl-3-oxo-butyrate; a step of addition reduction, namely a step of carrying out an addition reduction reaction on the alkyl 2-ethyl-3-oxo-butyate to obtain alkyl 2-ethylbutyrate; a step of reduction, namely a step of subjecting the alkyl 2-ethylbutyrate to a reduction reaction to prepare 2-ethyl-1-butanol (I). According to the preparation method of the remdesivir intermediate 2-ethyl-1-butanol, the alkyl acetoacetate and halogenated ethane serve as main raw materials, the raw materials are simple and easy to obtain, the 2-ethyl-1-butanol (I) is prepared through substitution reaction, addition reduction and reduction reaction, the process is simple, economical and environmentally friendly, the product is convenient to obtain, and industrial production of remdesivir bulk drugs is facilitated.