58544-20-0

Basic information

• Product Name: 3-Butenoic acid, 2,2-diMethyl-, ethyl ester
• Synonyms: 3-Butenoic acid, 2,2-diMethyl-, ethyl ester;2,2-DiMethyl-but-3-enoic acid ethyl ester;2,2-Dimethyl-3-butenoic Acid Ethyl Ester
• CAS NO: 58544-20-0
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.19556
• Mol File: 58544-20-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 154.1°Cat760mmHg
• Flash Point: 49.9°C
• Appearance: /
• Density: 0.893g/cm³
• Vapor Pressure: 3.22mmHg at 25°C
• Refractive Index: 1.423
• CAS DataBase Reference: 3-Butenoic acid, 2,2-diMethyl-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Butenoic acid, 2,2-diMethyl-, ethyl ester(58544-20-0)
• EPA Substance Registry System: 3-Butenoic acid, 2,2-diMethyl-, ethyl ester(58544-20-0)

Safety Data

• Hazardous Substances Data: 58544-20-0(Hazardous Substances Data)

Usage

Description

3-Butenoic acid, 2,2-dimethyl-, ethyl ester, also known as 2,2-dimethyl-3-butenoic acid ethyl ester, is a chemical compound derived from 2,2-dimethyl-3-butenoic acid (D469055). It is characterized by its ester functional group and is involved in the synthesis of metabolites.

Uses

Used in Pharmaceutical Industry:
3-Butenoic acid, 2,2-dimethyl-, ethyl ester is used as an intermediate in the synthesis of metabolites for Simvastatin (S485000), a synthetic derivative of a fermentation product of Aspergillus terreus. Simvastatin is a widely used drug in the treatment of high cholesterol and cardiovascular diseases, making this ester an essential component in the pharmaceutical industry for developing and producing life-saving medications.

InChI:InChI=1/C8H14O2/c1-5-8(3,4)7(9)10-6-2/h5H,1,6H2,2-4H3

Upstream product

• 870-63-3 prenyl bromide 
• 105-53-3 diethyl malonate 

Downstream Products

• 10276-09-2 2,2-dimethyl-but-3-enoic acid 
• 66248-79-1 ethyl 4,4-dimethyl-3-oxo-hex-5-enoate 
• 57690-96-7 2,2-dimethylbut-3-enoyl chloride 
• 316148-60-4 5-(1,1-dimethyl-2-propenyl)imidazole-4-carbaldehyde 
• 316148-57-9 ethyl 2-chloro-3-oxo-4,4-dimethyl-5-hexenoate 
• 316148-59-1 (5-(1,1-dimethyl-2-propenyl)imidazole-4-yl)methanol 
• 316148-58-0 ethyl 5-(1,1-dimethyl-2-propenyl)imidazole-4-carboxylate 
• 74753-00-7 3,3,5-Trimethyl-1,4-hexadien 
• 40441-35-8 3,4,4-trimethylcyclohexen-1-one 
• 756-02-5 2,3,3-Trimethyl-1,4-pentadiene 
• 87279-53-6 2,2-dimethyl-3-(phenylthio)-γ-butyrolactone 
• 87279-52-5 2,2-dimethyl-3-(phenylsulfonyl)-γ-butyrolactone 
• 1207728-14-0 2-[3-(3,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl]-2-methylpropionic acid ethyl ester 
• 7472-48-2 2,2-dimethyl-but-3-enoic acid amide 

Relevant articles and documents

Influence du cuivre sur la substitution des enolates stables par divers halogenures allyliques

The allylic substitution, by a variety of allylic halides, of stable enolates derived from diethyl malonate, ethyl cyanoacetate, ethyl acetoacetate and acetylacetone has been investigated.The yields and regioselectivity of these reactions are strongly influenced by cuprous ions (and their ligands).