2351-89-5

Basic information

• Product Name: ethyl 5-methylhex-2-enoate
• Synonyms: ethyl 5-methylhex-2-enoate;5-Methyl-2-hexenoic acid ethyl ester;Ethyl 5-methyl-2-hexenoate;Einecs 219-086-8
• CAS NO: 2351-89-5
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.22214
• EINECS: 219-086-8
• Product Categories: Aliphatics;Miscellaneous Reagents
• Mol File: 2351-89-5.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 90°C/22mmHg
• Flash Point: 73.4°C
• Appearance: /
• Density: 0.894g/cm³
• Vapor Pressure: 0.589mmHg at 25°C
• Refractive Index: 1.434
• CAS DataBase Reference: ethyl 5-methylhex-2-enoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 5-methylhex-2-enoate(2351-89-5)
• EPA Substance Registry System: ethyl 5-methylhex-2-enoate(2351-89-5)

Safety Data

• Hazardous Substances Data: 2351-89-5(Hazardous Substances Data)

Usage

Chemical Properties

Colourless Liquid

Uses

5-Methyl-2-hex-2-enoic Acid Ethyl Ester can be used as a useful synthetic intermediate.

InChI:InChI=1/C9H16O2/c1-4-11-9(10)7-5-6-8(2)3/h5,7-8H,4,6H2,1-3H3/b7-5+

Upstream product

• 64-17-5 ethanol 
• 41653-96-7 5-methyl-2-hexenoic acid 
• 1071-46-1 hydrogen ethyl malonate 
• 590-86-3 isovaleraldehyde 
• 51615-30-6 diethyl 2-(3-methylbutylidene)malonate 
• 141-78-6 ethyl acetate 
• 105-53-3 diethyl malonate 
• 867-13-0 diethoxyphosphoryl-acetic acid ethyl ester 

Downstream Products

• 128013-65-0 3-nitromethyl-5-methyl-hexanoic acid ethyl ester 
• 181289-39-4 (S)-3-cyano-5-methylhexanoic acid ethyl ester 
• 181289-23-6 (S)-4-isobutyl-pyrrolidin-2-one 
• 261896-48-4 1-benzyl-4-(S)-isobutylpyrrolidine-3-(S)-carboxylic acid 
• 261896-47-3 1-benzyl-4-(S)-isobutyl-3-(S)-[4'-(R)-phenyl-2'-oxazolidinon-3'-yl]carbonyl pyrrolidine 
• 148553-50-8 pregabilin 
• 1361023-96-2 C₁₄H₁₉N 
• 1310495-06-7 ethyl 3-[2,2-dimethyl-4,6-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazinan-5-yl]-5-methyl-hexanoate 
• 1310495-02-3 (S)-ethyl 5-methyl-3-[2-oxo-2-((S)-1-phenylethylamino)ethyl] hexanoate 
• 1310495-04-5 (S)-3-(aminomethyl)-5-methyl-N-((S)-1-phenylethyl)hexanamide 
• 1310495-03-4 (S)-3-(2-hydrazinyl-2-oxoethyl)-5-methyl-N-((S)-1-phenylethyl) hexanamide 
• 1310495-01-2 3-isobutyl-4-((S)-1-phenylethylcarbamoyl)pentanedioic acid diethyl ester 
• 128013-69-4 (R,S)-3-iso-butyl-4-aminobutyric acid 
• 1027976-69-7 (S)-2-[(S)-2-(3-Acetylsulfanyl-5-methyl-hexanoylamino)-3-phenyl-propionylamino]-3-(4-hydroxy-phenyl)-propionic acid methyl ester 

Relevant articles and documents

Synthesis method of pregabalin intermediate 3-nitromethylene-5-methyl-ethyl hexanoate

The invention provides a synthesis method of a pregabalin intermediate, namely 3-nitromethylene-5-methyl-ethyl hexanoate. The synthesis method comprises the following steps: (1) reacting isovaleraldehyde with malonic acid in a choline chloride-urea eutectic solvent to obtain 5-methyl-2-hexenoic acid; (2) reacting the 5-methyl-2-hexenoic acid with absolute ethyl alcohol in a choline chloride-methanesulfonic acid eutectic solvent to obtain 5-methyl-2- ethyl hexanoate; and (3) reacting the 5-methyl-2- ethyl hexanoate with nitromethane in a choline chloride-urea eutectic solvent to obtain the 3-nitromethylene-5-methyl- ethyl hexanoate. The method does not need an organic solvent, is green, low in toxicity, environment-friendly, simple to operate, simple in post-treatment, high in yield and lowin cost, and is a green and efficient synthesis method for synthesizing the pregabalin intermediate.

Bisheterocycle substituted oxa-spiro derivative, and preparation method and medical application thereof

The invention relates to a bisheterocyclic substituted oxa-spiro derivative, and a preparation method and medical application thereof. Specifically, the invention discloses compounds of formula (I) and formula (II) or pharmaceutically acceptable salts, stereoisomers or solvates thereof, and a preparation method and application thereof. Each group in the formulas is as defined in the specificationand claims in detail.

Method for preparing 3-isobutylglutaric acid

The invention discloses a method for preparing 3-isobutylglutaric acid. The method includes the following steps: carrying out a Knoevenagel condensation reaction on isovaleraldehyde and diethyl malonate with hexahydropyridine acetate as a catalyst in a cyclohexane solvent; carrying out a heating decarboxylation reaction on a product obtained by the first step in a solution composed of sodium chloride, DMSO and water; carrying out a Michael addition and decarboxylation reaction on a product obtained by the second step and diethyl malonate in an alcohol solvent of an alkali; and carrying out a hydrolysis reaction on a product obtained by the third step under an acidic condition to obtain the 3-isobutylglutaric acid product. The method of the invention uses the cheap and easily available isovaleraldehyde and diethyl malonate as raw materials, overcomes the defect of large steric hindrance of carbon-carbon a double bond in 5-methyl-2-cyano-2-hexenoate in the prior art, shortens the reaction time, and increases the reaction conversion rate of the isovaleraldehyde, thereby ensuring the overall yield of the 3-isobutylglutaric acid product.