20962-71-4

Basic information

• Product Name: 2-Acetyl-4-methyl-4-pentenoic acid methyl ester
• Synonyms: 2-Acetyl-4-methyl-4-pentenoic acid methyl ester;methyl 2-acetyl-4-methylpent-4-enoate
• CAS NO: 20962-71-4
• Molecular Formula: C9H14O3
• Molecular Weight: 170.21
• Mol File: 20962-71-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 210.9±20.0 °C(Predicted)
• Appearance: /
• Density: 0.984±0.06 g/cm3(Predicted)
• PKA: 11.37±0.59(Predicted)
• CAS DataBase Reference: 2-Acetyl-4-methyl-4-pentenoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Acetyl-4-methyl-4-pentenoic acid methyl ester(20962-71-4)
• EPA Substance Registry System: 2-Acetyl-4-methyl-4-pentenoic acid methyl ester(20962-71-4)

Safety Data

• Hazardous Substances Data: 20962-71-4(Hazardous Substances Data)

Usage

Chemical compound

2-Acetyl-4-methyl-4-pentenoic acid methyl ester

Also known as

Methyl 3,5-dimethyl-4-pentenoate

Physical properties

Colorless liquid with a fruity odor

Common uses

Flavoring agent in the food and beverage industry, intermediate in pharmaceutical and fragrance production

Synthesis method

Esterification of 3,5-dimethyl-4-pentenoic acid with methanol

Potential allergen

Can cause skin irritation and sensitization

Caution

Handle with care, use in compliance with safety guidelines

Upstream product

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Downstream Products

• 268738-16-5 5-methylhex-5-ene-2,3-dione 3-oxime 

Relevant articles and documents

Iodine-Catalyzed Synthesis of Substituted Furans and Pyrans: Reaction Scope and Mechanistic Insights

Substituted pyrans and furans are core structures found in a wide variety of natural products and biologically active compounds. Herein, we report a practical and mild catalytic method for the synthesis of substituted pyrans and furans using molecular iodine, a simple and inexpensive catalyst. The method described is performed under solvent-free conditions at an ambient temperature and atmosphere, thus offering a facile and practical alternative to currently available reaction protocols. A combination of experimental studies and density functional theory calculations revealed interesting mechanistic insights into this seemingly simple reaction.

CALCILYTIC COMPOUNDS

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