34993-63-0

Basic information

• Product Name: 5-METHYL-HEX-2-ENOIC ACID ETHYL ESTER
• Synonyms: 5-METHYL-HEX-2-ENOIC ACID ETHYL ESTER
• CAS NO: 34993-63-0
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.22
• Mol File: 34993-63-0.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 62 °C(Press: 0.08 Torr)
• Appearance: /
• Density: 0.894±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 5-METHYL-HEX-2-ENOIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-HEX-2-ENOIC ACID ETHYL ESTER(34993-63-0)
• EPA Substance Registry System: 5-METHYL-HEX-2-ENOIC ACID ETHYL ESTER(34993-63-0)

Safety Data

• Hazardous Substances Data: 34993-63-0(Hazardous Substances Data)

Usage

Uses

A useful synthetic intermediate.

Upstream product

• 64-17-5 ethanol 
• 41653-96-7 5-methyl-2-hexenoic acid 
• 141-78-6 ethyl acetate 
• 590-86-3 isovaleraldehyde 
• 105-36-2 ethyl bromoacetate 
• 603-35-0 triphenylphosphine 
• 51615-30-6 diethyl 2-(3-methylbutylidene)malonate 
• 105-53-3 diethyl malonate 
• 1071-46-1 hydrogen ethyl malonate 
• 867-13-0 diethoxyphosphoryl-acetic acid ethyl ester 

Downstream Products

• 10236-10-9 ethyl isoamylacetate 
• 148553-50-8 pregabilin 
• 181289-39-4 (S)-3-cyano-5-methylhexanoic acid ethyl ester 
• 181289-23-6 (S)-4-isobutyl-pyrrolidin-2-one 
• 41653-96-7 5-methyl-2-hexenoic acid 
• 41653-96-7 (E)-5-methyl-2-hexenoic acid 
• 627-98-5 5-methyl-1-hexanol 
• 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 
• 87666-33-9 ethyl (E)-5-methyl-3-phenylhex-2-enoate. 
• 1531586-72-7 (S)-4-methyl-2-(2-oxo-2-((R)-2-oxo-4-phenyloxazolidin-3-yl)ethyl)pentanenitrile 
• 1531586-73-8 (R)-4-methyl-2-(2-oxo-2-((R)-2-oxo-4-phenyloxazolidin-3-yl)ethyl)pentanenitrile 

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.

Synthetic method of environment-friendly and efficient pregabalin

The invention relates to a synthetic method of environment-friendly and efficient pregabalin. The synthetic method comprises the following steps: 1) dehydrating and condensing acetate and isopentyl aldehyde to obtain 5-methyl-2-hexenoate; 2) performing cyano addition on the 5-methyl-2-hexenoate to obtain (S)-5-methyl-3-cyanohexanoate; 3) performing hydrogen reduction cyclization on the (S)-5-methyl-3-cyanohexanoate to obtain (S)-4-isobutylpyrrolidin-2-one; and 4) performing hydrolysis and ring opening on the (S)-4-isobutylpyrrolidin-2-one to obtain the pregabalin. The synthetic route has the advantages of cheap and easily available raw materials, few reaction steps, mild process conditions, simple operation, high reaction yield and less environment pollution, and is more suitable for industrial production of bulk drug pregabalin.