87252-17-3

Basic information

• Product Name: 2,4-hexadienoic acid, 3,5-dimethyl-
• Synonyms: 3,5-Dimethylhexa-2,4-dienoic acid
• CAS NO: 87252-17-3
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.1797
• Mol File: 87252-17-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 257.991°C at 760 mmHg
• Flash Point: 164.849°C
• Density: 0.987g/cm³
• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.482
• CAS DataBase Reference: 2,4-hexadienoic acid, 3,5-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-hexadienoic acid, 3,5-dimethyl-(87252-17-3)
• EPA Substance Registry System: 2,4-hexadienoic acid, 3,5-dimethyl-(87252-17-3)

Safety Data

• Hazardous Substances Data: 87252-17-3(Hazardous Substances Data)

Upstream product

• 141-79-7 4-methyl-pent-3-en-2-one 
• 105-36-2 ethyl bromoacetate 
• 91057-21-5 ethyl 3,5-dimethylhexa-2,4-dienoate 
• 70840-92-5 3,5-dimethyl-hexa-2,4-dienoic acid methyl ester 
• 675-09-2 4,6-Dimethyl-2-pyron 
• 75-16-1 methylmagnesium bromide 
• 675-10-5 4-hydroxy-6-methyl-2-pyron 
• 676-58-4 methylmagnesium chloride 
• 488788-59-6 6-methyl-2-pyrone-4-trifluoromethanesulfonate 
• 638-10-8 ethyl 3-methylbut-2-enoate 
• 67-64-1 acetone 
• 25409-22-7 3-Hydroxy-3,5-dimethyl-hexen-(4)-saeure-ethylester 
• 4834-02-0 4-diethoxyphosphoryl-3-methyl-but-2-enoic acid methyl ester 

Downstream Products

• 1666-02-0 2-hydroxy-4,6-dimethylbenzaldehyde 
• 108-68-9 3,5-Dimethylphenol 
• 877-82-7 5-acetoxy-m-xylene 

Relevant articles and documents

Iron-Catalyzed Reactions of 2-Pyridone Derivatives: 1,6-Addition and Formal Ring Opening/Cross Coupling

In the presence of simple iron salts, 2-pyridone derivatives react with Grignard reagents under mild conditions to give the corresponding 1,6-addition products; if the reaction medium is supplemented with an aprotic dipolar cosolvent after the actual addition step, the intermediates primarily formed succumb to ring opening, giving rise to non-thermodynamic Z,E-configured dienoic acid amide derivatives which are difficult to make otherwise. Control experiments as well as the isolation and crystallographic characterization of a (tricarbonyl)iron pyridone complex suggest that the active iron catalyst generated in situ exhibits high affinity to the polarized diene system embedded into the heterocyclic ring system of the substrates, which likely serves as the actual recognition element.

Consecutive Michael-claisen process for cyclohexane-1,3-dione derivative (CDD) synthesis from unsubstituted and substituted acetone 1

A long-existing problem of cyclohexane-1,3-dione derivatives (CDD) synthesis from unreactive acetone through consecutive Michael-Claisen process was solved under this study. The practical applicability of this process was tested for a novel compound ethyl 3-(2,4-dioxocyclohexyl)propanoate for up to 20-gram scale. Furthermore, the scope of different acetone derivatives was investigated and resulted with similar consecutive Michael-Claisen process for CDD synthesis. The reaction exhibited remarkable regioselectivity in Michael addition followed by Claisen cyclization. In this process high substrate selectivity was observed for CDD synthesis following consecutive double-Michael-Claisen and Michael-Claisen cyclization. Georg Thieme Verlag Stuttgart · New York.