41653-96-7

Basic information

• Product Name: (E)-5-METHYL-HEX-2-ENOIC ACID
• Synonyms: (E)-5-METHYL-HEX-2-ENOIC ACID;5-Methyl-2-hexenoic Acid;2-Hexenoic acid, 5-methyl-
• CAS NO: 41653-96-7
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.16898
• Product Categories: Aliphatics;Miscellaneous Reagents
• Mol File: 41653-96-7.mol
• Article Data: 22

Chemical Properties

• Melting Point: 16.5°C
• Boiling Point: 82°C/1mmHg
• Appearance: /
• Density: 0.9420
• Refractive Index: 1.4425
• CAS DataBase Reference: (E)-5-METHYL-HEX-2-ENOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-5-METHYL-HEX-2-ENOIC ACID(41653-96-7)
• EPA Substance Registry System: (E)-5-METHYL-HEX-2-ENOIC ACID(41653-96-7)

Safety Data

• Hazardous Substances Data: 41653-96-7(Hazardous Substances Data)

Usage

Chemical Properties

Colourless Liquid

Uses

5-Methyl-2-hexenoic acid can be used as a useful synthetic intermediate.

Upstream product

• 879406-86-7 (Z)-2-methyl-2-hexenoic acid 
• 40309-49-7 3-hydroxy-5-methylhexanoic acid 
• 141-82-2 malonic acid 
• 108-24-7 acetic anhydride 
• 64-19-7 acetic acid 
• 18556-89-3 3-methyl-2-oxobutanal 
• 590-86-3 isovaleraldehyde 
• 34993-63-0 5-methyl-2-hexenoic acid ethyl ester 
• 29246-76-2 5-methyl-hex-3-enenitrile 
• 62356-03-0 (E)-5-methyl-3-hexenoic acid 
• 7732-18-5 water 
• 7664-41-7 ammonia 
• 6091-44-7 piperidine hydrochloride 
• 51615-30-6 diethyl 2-(3-methylbutylidene)malonate 

Downstream Products

• 34993-63-0 5-methyl-2-hexenoic acid ethyl ester 
• 144-62-7 oxalic acid 
• 75513-56-3 (E)-methyl 5-methyl-2-hexenoate 
• 910042-20-5 N-benzyl-N-(3-oxo-3-phenylpropyl)-(E)-5-methylhex-2-enamide 
• 866269-80-9 3-oxo-2-phenylethyl (E)-5-methylhex-2-enoate 
• 261896-39-3 (3S,4S)-4-(2'-methylprop-1'-yl)-3-pyrrolidine carboxylic acid 
• 261896-39-3 (3R,4R)-4-(2'-methylprop-1'-yl)-3-pyrrolidine carboxylic acid 
• 261896-43-9 3-[(E)-3-isobutylpropenoyl]-4-(S)-phenyl-2-oxazolidinone 
• 261896-46-2 (R,E)-3-(5-methylhex-2-enoyl)-4-phenyl-1,3-oxazolidine-2-one 
• 261896-48-4 1-benzyl-4-(S)-isobutylpyrrolidine-3-(S)-carboxylic acid 
• 261896-45-1 1-benzyl-4-(R)-isobutylpyrrolidine-3-(R)-carboxylic acid 
• 261896-44-0 1-benzyl-4-(R)-isobutyl-3-(R)-[4'-(S)-phenyl-2'-oxazolidinon-3'-yl]carbonyl pyrrolidine 
• 261896-47-3 1-benzyl-4-(S)-isobutyl-3-(S)-[4'-(R)-phenyl-2'-oxazolidinon-3'-yl]carbonyl pyrrolidine 
• 370064-66-7 3-(S)-isobutyl-aziridine-2-(R)-carboxylic acid benzyl ester 

Relevant articles and documents

A new synthetic route for the preparation of pregabalin

We reported the synthesis of (S)-pregabalin in a five-step sequence with 20% overall yield. As a modification of the previously developed route, a Michael addition between CH3NO2 and chiral oxaoxazolidinone was employed as a key operation for introducing the methyleneamino group, which allowed avoiding the use of toxic cyanide reagent and led to enantiomerically pure product (>99% ee) after the recrystallization in appropriate solvent.

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.

Phosphodiesterase inhibitor, and applications thereof

The invention belongs to the technical field of medicine, and more specifically relates to a phosphodiesterase 9 (PDE9) inhibitor represented by formula I, and pharmaceutically acceptable salts, solvates, polymorphic substances, and isomers thereof, and also relates to medicinal preparations, and pharmaceutical compositions of the above compounds, and applications of the medicinal preparations andpharmaceutical compositions. The compounds and the pharmaceutically acceptable salts, solvates, polymorphic substances, and isomers can be used in treatment of phosphodiesterase 9 (PDE9) abnormal expression mediated related diseases.