42558-54-3 Usage
Description
Methyl isobutyrylacetate, also known as Isobutanoyl Methyl Acetate, is a colorless to yellowish liquid with unique chemical properties that make it a versatile compound in various industries. It is commonly used as a starting material in the synthesis of different organic compounds and serves as a building block for pharmaceuticals.
Uses
Used in Pharmaceutical Industry:
Methyl isobutyrylacetate is used as a building block for the synthesis of pharmaceuticals, specifically for the development of cholesterol-lowering drugs. Its unique chemical structure allows for the creation of compounds that can effectively reduce cholesterol levels in the body.
Used in Chemical Synthesis:
Methyl isobutyrylacetate is used as a starting material for the synthesis of various heterocycles, such as Furane, Pyrazolone, and Chinilone. These heterocycles are essential components in the development of numerous pharmaceuticals and other chemical products.
Used in Tobacco Industry:
Methyl isobutyrylacetate is used as a starting material in the synthesis of 3-Hydroxy-4-methylpentanoic Acid (H947700), which is isolated from Turkish tobacco leaves. Methyl isobutyrylacetate contributes to the unique flavor and aroma of tobacco products.
Used in Polymer Science:
Methyl isobutyrylacetate can be used to prepare 1,3-Polyol arrays via stereoselective rearrangement. These polyols are essential components in the production of various polymers, which have a wide range of applications in the plastics, coatings, and adhesives industries.
Flammability and Explosibility
Notclassified
Check Digit Verification of cas no
The CAS Registry Mumber 42558-54-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,5,5 and 8 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 42558-54:
(7*4)+(6*2)+(5*5)+(4*5)+(3*8)+(2*5)+(1*4)=123
123 % 10 = 3
So 42558-54-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H12O3/c1-4-6(8)10-7(9)5(2)3/h5H,4H2,1-3H3
42558-54-3Relevant articles and documents
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Wallingford,Homeyer,Jones
, p. 2254 (1941)
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Cu-Mediated Expeditious Annulation of Alkyl 3-Aminoacrylates with Aryldiazonium Salts: Access to Alkyl N2-Aryl 1,2,3-Triazole-carboxylates for Druglike Molecular Synthesis
Liu, Hao-Nan,Cao, Hao-Qiang,Cheung, Chi Wai,Ma, Jun-An
supporting information, p. 1396 - 1401 (2020/02/22)
Alkyl N-aryl 1,2,3-triazole-carboxylates are important molecules or intermediates in medicinal chemistry, but the synthesis of N2-aryl counterparts remains elusive. Herein, we describe a Cu-mediated annulation reaction of alkyl 3-aminoacrylates with aryldiazonium salts, both of which are readily available substrates. Furthermore, alkyl 2-aminoacrylates are also viable substrates. Diverse alkyl N2-aryl 1,2,3-triazole-carboxylates and their analogues can be rapidly prepared under mild conditions. Especially, this protocol allows one to access several druglike variants of carbonic anhydrase inhibitors and celecoxib.
Preparation method of atorvastatin calcium
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Paragraph 0012; 0013, (2018/07/30)
The invention belongs to the technical field of medicine preparation and particularly relates to a patent application about a novel preparation method of atorvastatin calcium. The method includes steps of preparing intermediates including: 2-methyl-3-carbonyl-methyl pentanoate, 2-methyl-3,5-dicarbonyl-5-anilino-butane, 4-methyl-3-oxo-N-phenyl-2-benzylidene pentanamide, 4-(4-fluorophenyl)-2-(2-methylpropionyl)-4-oxo-N-beta-diphenyl butyrylamide. The preparation method employs cheap and easy-to-obtained raw materials, has simple reactions and operations, and has great industrial application prospect. In conclusion, the preparation method has high reaction efficiency and product yield, is good in repeatability, is suitable for industrial production and has great application value and promotion and application significance.