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Butanoic acid, 2-bromo-2-methyl-, ethyl ester, also known as ethyl 2-bromo-2-methylbutanoate, is a colorless liquid chemical compound with the molecular formula C6H11BrO2. It is characterized by a fruity odor and is commonly used in the flavor and fragrance industry.

5398-71-0

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5398-71-0 Usage

Uses

Used in Flavor and Fragrance Industry:
Butanoic acid, 2-bromo-2-methyl-, ethyl ester is used as a flavoring agent for imparting a pineapple-like flavor to various food products, such as candies, beverages, and baked goods.
Used in Organic Synthesis:
Ethyl 2-bromo-2-methylbutanoate is utilized as a reagent in organic synthesis, where it is known for its ability to react with nucleophiles to form various organic compounds, making it a versatile and valuable chemical in the industry.
Used in Chemical Processes as a Solvent:
Butanoic acid, 2-bromo-2-methyl-, ethyl ester is also employed as a solvent in various chemical processes due to its properties that facilitate certain reactions and processes.
It is important to handle Butanoic acid, 2-bromo-2-methyl-, ethyl ester with care, as it can be hazardous if not used properly.

Check Digit Verification of cas no

The CAS Registry Mumber 5398-71-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,9 and 8 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5398-71:
(6*5)+(5*3)+(4*9)+(3*8)+(2*7)+(1*1)=120
120 % 10 = 0
So 5398-71-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H13BrO2/c1-4-7(3,8)6(9)10-5-2/h4-5H2,1-3H3

5398-71-0SDS

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 ethyl 2-bromo-2-methylbutanoate

1.2 Other means of identification

Product number -
Other names 2-bromo-2-ethyl-2-methyl acetic acid ethyl ester

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:5398-71-0 SDS

5398-71-0Relevant academic research and scientific papers

SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS

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Paragraph 1203, (2021/07/31)

Described herein are compounds of Formula (I), Formula (I-A), and Formula (I-B), solvates thereof, tautomers thereof, and pharmaceutically acceptable salts of the foregoing, Further described herein are methods of inhibiting NLRP3 using said compounds, and methods of and compositions useful in treating NLRP3-dependent disorders.

Method for preparing high-purity kerley Bette

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Paragraph 0033; 0035, (2016/10/07)

The invention relates to a preparation method of high-purity clinofibrate, the field of preparation of pharmaceutical compounds. The preparation method comprises the following steps: reacting cyclohexanone and phenol in concentrated hydrochloric acid and glacial acetic acid in a volume ratio of 3:1-7:1 to obtain an intermediate I crude product, decolorizing with a single solvent, and cooling to crystallize to obtain an intermediate I; reacting 2-methylbutyric acid with liquid bromine in phosphorus trichloride, reacting with anhydrous alcohol, extracting, and carrying out vacuum distillation to obtain an intermediate II; reacting the intermediate I and the intermediate II under solventless conditions to obtain an intermediate III; and hydrolyzing the intermediate III and sodium hydroxide, extracting, crystallizing to obtain a clinofibrate crude product; and recrystallizing with an anhydrous solvent to obtain the clinofibrate. The material proportion is adjusted to shorten the production operation period; the invention has the advantages of low energy consumption and low solvent consumption; and the obtained product has the advantages of uniform crystal grains, high purity and low cost.

Benzylation of arenes with benzyl halides synergistically promoted by in situ generated superacid boron trifluoride monohydrate and tetrahaloboric acid

Huang, Ruofeng,Zhang, Xiaohui,Pan, Jing,Li, Jiaqiang,Shen, Hang,Ling, Xuege,Xiong, Yan

supporting information, p. 1540 - 1546 (2015/03/04)

To examine the assembly methodology of diarylmethanes, a benzylation of (hetero)arenes with benzyl halides has been developed and various diarylmethanes were furnished with yields of up to 98% and regioselectivities of up to >99%. The complexation of the by-product halogen hydride with BF3·OEt2 generated the Bronsted acid BF3·HX (HBF3X, X=Cl or Br) in situ to synergistically promote the benzylation.

2-Amino-1,3-thiazol-4(5H)-ones as potent and selective 11β- hydroxysteroid dehydrogenase type 1 inhibitors: Enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice

Johansson, Lars,Fotsch, Christopher,Bartberger, Michael D.,Castro, Victor M.,Chen, Michelle,Emery, Maurice,Gustafsson, Sonja,Hale, Clarence,Hickman, Dean,Homan, Evert,Jordan, Steven R.,Komorowski, Renee,Li, Aiwen,McRae, Kenneth,Moniz, George,Matsumoto, Guy,Orihuela, Carlos,Palm, Gunnar,Veniant, Murielle,Wang, Minghan,Williams, Meredith,Zhang, Jiandong

experimental part, p. 2933 - 2943 (2009/04/10)

11β-Hydroxysteroid dehydrogenase type 1 (11β-HSD1) has attracted considerable attention during the past few years as a potential target for the treatment of diseases associated with metabolic syndrome. In our ongoing work on 11β-HSD1 inhibitors, a series of new 2-amino-1,3-thiazol-4(5H)-ones were explored. By inserting various cycloalkylamines at the 2-position and alkyl groups or spirocycloalkyl groups at the 5-position of the thiazolone, several potent 11β-HSD1 inhibitors were identified. An X-ray cocrystal structure of human 11β-HSD1 with compound 6d (Ki = 28 nM) revealed a large lipophilic pocket accessible by substitution off the 2-position of the thiazolone. To increase potency, analogues were prepared with larger lipophilic groups at this position. One of these compounds, the 3-noradamantyl analogue 8b, was a potent inhibitor of human 11β-HSD1 (Ki = 3 nM) and also inhibited 11β-HSD1 activity in lean C57Bl/6 mice when evaluated in an ex vivo adipose and liver cortisone to cortisol conversion assay.

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