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

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

Uses

Used in Food and Beverage Industry:
Methyl 2-ethylbutyrate is utilized as a flavoring agent due to its natural fruity aroma, enhancing the taste and smell of various food and beverage products.
Used in Perfumery:
This ester is employed as a fragrance ingredient in perfumes, capitalizing on its sweet and fruity scent to create appealing olfactory experiences.
Used in Air Fresheners:
Methyl 2-ethylbutyrate is used in air fresheners to provide a pleasant and refreshing atmosphere, thanks to its easily recognizable and enjoyable fruity odor.
Used in Fragrance Industry:
methyl 2-ethylbutyrate is incorporated into a range of fragrances for consumer products, leveraging its volatility and pleasant aroma to create long-lasting and attractive scents.
Used in Synthetic Fruit Flavorings:
Methyl 2-ethylbutyrate is used as a key component in synthetic fruit flavorings, mimicking the natural aroma of fruits and adding authenticity to flavor compositions in various applications.

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

Downstream Products

• 55282-11-6 11-(1-ethylpropyl)heneicosane 
• 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

SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS

The disclosure provides compounds of Formula 1, and the pharmaceutically acceptable salts thereof. The variables in Formula 1, e.g. X1-X5, A1, A2, and R1-R4 are described herein. Such compounds are useful as prostaglandin transport (PGT) inhibitors. The disclosure further includes pharmaceutical compositions comprising a compound of Formula 1 or salt thereof and methods of using compounds of Formula 1 and salts thereof to treat diseases and disorders mediated, at least in part, by prostaglandin levels or cyclooxygenase activity. Such diseases and disorders include painful and inflammatory conditions.

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.

mCPBA-mediated dioxygenation of unactivated alkenes for the synthesis of 5-imino-2-tetrahydrofuranyl methanol derivatives

A mCPBA-mediated, metal-free, intramolecular dioxygenation reaction of unactivated alkenes is reported. In the presence of m-chlorobenzoic peracid, different unsaturated amide substrates could be cyclized via epoxide intermediates, producing the corresponding 5-imino-2-tetrahydrofuranyl methanol products in up to 94% yield at room temperature.

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.

N-Butyl-2,4-dinitro-anilinium p-toluenesulfonate as a highly active and selective esterification catalyst

N-Butyl-2,4-dinitro-anilinium p-toluenesulfonate (1) was found to be a very active esterification catalyst that promotes condensation of equal mole amount of carboxylic acids and alcohols under mild conditions. This catalyst is also highly selective towards carboxylic acid and alcohol substrates at ambient temperature.

12-hetero substituted 6,11-ethano-6,11-dihydrobenzo (b) quinolizinium salts and compositions and method of use thereof

1-Hetero substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts, pharmaceutical compositions containing them, and methods for the treatment or prevention of neurodegenerative disorders or neurotoxic injuries utilizing them.

SELECIVE SYNTHESIS OF 3-BULKYALKYLSUBSTITUTED 5-AMINOISOXAZOL

Methyl 2-ethylbutyrate (3) plus lithiumdiisopropylamide reacted with methyl iodide to give methyl 2-ethyl-2-methylbutyrate (4).The methylene carbanion of acetonitrile-generated with lithiumdiisopropylamide- reacted with 4 to give 4-ethyl-4-methyl-3-oxohexanenitrile (5). 3-Ketonitrile 5 reacted with hydroxylamine after 20 min of heating to reflux in ethanol to give 4-ethyl-4-methyl-3-oxoheyanitrile oxime (6).This in aqueous dilute HCl was selectively and quantitatively transformed into 5-amino-3-(1-ethyl-1-methylpropyl)-isoxazol (7).Longer heating of 5 with hydroxylamine directly generated a mixture of 7 with its isomer 3-amino-5-(1-ethyl-1-methylpropyl)isoxazol (7b).Reaction conditions were studied for optimization of the 5-aminoisoxazol 7 synthesis.

The Autoxidation of Hept-3-yne

In the reaction mixtures of the oxidation of hept-3-yne with molecular oxygen as products of the attack on the C-C triple bond heptane-3,4-dione, propionic and butyric acids and a very small amount of 2-ethylvaleric acid were found.Hept-2-en-4-one and hept-3-en-5-one were probably present, but could not be identified unambiguously.As in the case of the isomeric octynes the main primary reaction products were the hydroperoxides formed by attack on the C-H bonds in α-position to the CC triple bond.

NOUVELLES METHODES DE DESHALOGENATION ET DE FORMATION D'ALKYLTRIMETHYLACETALS DE CETENE PAR ACTION DE iPr2NLi SUR QUELQUES α-BROMOESTERS

A previously described method consisting in reacting LDA with α-bromoketones has been extended to α-bromoesters.Deshalogenation (after hydrolysis) and formation of ketene alkyltrimethylsilyl acetals (after SiMe3Cl addition) occur and show the generality of the method.