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2-Ethyl-2-methylbutyric acid methyl ester is an organic compound with the chemical formula C8H16O2. It is a colorless liquid with a fruity odor and is derived from the esterification of 2-ethyl-2-methylbutyric acid and methanol. This ester is commonly used as a flavoring agent in the food and beverage industry, particularly in the production of artificial fruit flavors, due to its ability to mimic the taste of certain fruits. It is also used in the fragrance industry to create natural and synthetic scents. The compound is known for its stability and is generally recognized as safe (GRAS) by the U.S. Food and Drug Administration for use in food products.

5296-70-8

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5296-70-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5296-70-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,2,9 and 6 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5296-70:
(6*5)+(5*2)+(4*9)+(3*6)+(2*7)+(1*0)=108
108 % 10 = 8
So 5296-70-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H16O2/c1-5-8(3,6-2)7(9)10-4/h5-6H2,1-4H3

5296-70-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-ethyl-2-methylbutanoate

1.2 Other means of identification

Product number -
Other names 2-Ethyl-2-methyl-buttersaeure-methylester

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:5296-70-8 SDS

5296-70-8Relevant academic research and scientific papers

Nickel-catalyzed site-selective alkylation of unactivated C(sp 3)-H bonds

Wu, Xuesong,Zhao, Yan,Ge, Haibo

supporting information, p. 1789 - 1792 (2014/03/21)

The direct alkylation of unactivated sp3 C-H bonds of aliphatic amides was achieved via nickel catalysis with the assist of a bidentate directing group. The reaction favors the C-H bonds of methyl groups over the methylene C-H bonds and tolerates various functional groups. Moreover, this reaction shows a predominant preference for sp3 C-H bonds of methyl groups via a five-membered ring intermediate over the sp2 C-H bonds of arenes in the cyclometalation step.

Copper-catalyzed site-selective intramolecular amidation of unactivated C(sp3)-H bonds

Wu, Xuesong,Zhao, Yan,Zhang, Guangwu,Ge, Haibo

supporting information, p. 3706 - 3710 (2014/04/17)

The intramolecular dehydrogenative amidation of aliphatic amides, directed by a bidentate ligand, was developed using a copper-catalyzed sp3 C-H bond functionalization process. The reaction favors predominantly the C-H bonds of β-methyl groups over the unactivated methylene C-H bonds. Moreover, a preference for activating sp3 C-H bonds of β-methyl groups, via a five-membered ring intermediate, over the aromatic sp2 C-H bonds was also observed in the cyclometalation step. Additionally, sp3 C-H bonds of unactivated secondary sp3 C-H bonds could be functionalized by favoring the ring carbon atoms over the linear carbon atoms. Getting ahead on tams: The intramolecular dehydrogenative amidation of aliphatic amides, directed by a bidentate ligand, was developed using a copper-catalyzed sp 3 C-H bond functionalization process to deliver β-lactams. The reaction favors the C-H bonds of β-methyl groups over the unactivated methylene C-H bonds, as well as aromatic C(sp2)-H bonds and unactivated secondary C(sp3)-H bonds of rings.

First examples of the selective carbonylation of C6-C10 linear alkanes to tertiary carbonyl-containing compounds

Akhrem, Irena S.,Afanas'eva, Lyudmila V.,Vitt, Sergei V.,Petrovskii, Pavel V.

, p. 180 - 182 (2007/10/03)

The carbonylation of C6-C10 n-alkanes with CO in the presence of CBr4·2A1Br3 at -40°C and 1 atm CO leads to the products of non-destructive carbonylation, i.e., the esters of tertiary carboxylic acids, R1/

SELECIVE SYNTHESIS OF 3-BULKYALKYLSUBSTITUTED 5-AMINOISOXAZOL

Rouchaud, J.,Gustin, F.,Moulard, C.

, p. 545 - 556 (2007/10/02)

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.

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