99-67-2

Basic information

• Product Name: 2-ALLYL-4-PENTENOIC ACID
• Synonyms: 2-(2-propenyl)-4-pentenoicaci;2-allyl-4-pentenoicaci;alpha,alpha-diallylaceticacid;2-ALLYL-4-PENTENOIC ACID;2-PROPENE-PENT-4-ENOICACID;4-PENTENOICACID,2-ALLYL-;pent-4-enoic acid allyl ester;prop-2-enyl pent-4-enoate
• CAS NO: 99-67-2
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18
• Mol File: 99-67-2.mol
• Article Data: 14

Chemical Properties

• Melting Point: 48℃
• Boiling Point: 155.6°Cat760mmHg
• Flash Point: 56.4°C
• Appearance: /
• Density: 0.961
• Vapor Pressure: 3.01mmHg at 25°C
• Refractive Index: 1.436
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• CAS DataBase Reference: 2-ALLYL-4-PENTENOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ALLYL-4-PENTENOIC ACID(99-67-2)
• EPA Substance Registry System: 2-ALLYL-4-PENTENOIC ACID(99-67-2)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 99-67-2(Hazardous Substances Data)

Usage

Uses

Diallylacetic Acid (Valproic Acid USP Related Compound A), is a metabolite of Valproic Acid (V094750) as anticonvulsant agents. It can also be used for the synthesis of Velbanamine.

InChI:InChI=1/C8H12O2/c1-3-5-6-8(9)10-7-4-2/h3-4H,1-2,5-7H2

Upstream product

• 4372-31-0 2,2-diallylmalonic acid 
• 3508-77-8 ethyl diallyl acetoacetate 
• 2049-80-1 (2-propenyl)propanedioic acid diethyl ester 
• 106-95-6 allyl bromide 
• 18325-74-1 4-ethoxycarbonyl-1,6-heptadiene 
• 40556-27-2 2-allylpent-4-enoyl chloride 
• 3195-24-2 diallylmalonic acid diethyl ester 
• 93823-13-3 5-diallyl-2,2-dimethyl-1,3-dioxane-4,6-dione 

Downstream Products

• 3926-76-9 dihydro-5-methyl-3-(2-propenyl)-2(3H)-furanone 
• 60730-94-1 2,2-diallyl acetamide 
• 99-14-9 tricarallylic acid 
• 75866-88-5 1,7-Dibrom-heptan-carbonsaeure-4 
• 40556-27-2 2-allylpent-4-enoyl chloride 
• 83234-93-9 1,3-Bis-(1-allyl-but-3-enyl)-urea 
• 147030-36-2 3-(2-Hydroxy-2-methyl-propyl)-4-methyl-cyclopentanecarboxylic acid 
• 144-62-7 oxalic acid 
• 15719-64-9 methylammonium carbonate 
• 124-38-9 carbon dioxide 
• 60113-82-8 4-Hydroxyvalproic acid 
• 132868-28-1 4-hydroxymethyl-1,6-heptadiene 
• 330470-11-6 2-allyl-pent-4-enyloxymethylbenzene 
• 491611-84-8 [5-bromo-2-(3-bromopropyl)pentyloxymethyl]benzene 

Relevant articles and documents

A 2 - (2-allyl) pentene-4-acid methyl ester preparation method (by machine translation)

The invention relates to a machine intermediate 2 - (2-allyl) pentene-4-acid methyl ester preparation method, the preparation method is as follows: step 1) malonic acid ring (inferior) of potassium hydroxide in isopropyl acetate under alkaline conditions by PEG-400 catalytic and 3-polybromide propylene reaction produce compound 1 ; step 2) compound 1 under alkaline conditions in the sodium hydroxide of hydrolyzed to generate β-b acid compound 2 ; step 3) β-b acid compound 2 is heated and a single carboxyl the carboxyl group lives 3 ; step 4) single carboxyl compound 3 is obtained by reacting the methyl ester of the methyl esterification of compound 4 ; step 5) methyl ester compound 4 under alkaline conditions in and again LDA 3-polybromide propylene reaction produce the target compound 5. In the method for preparing the raw materials of the malonic acid ring a (sub) and isopropyl acetate 3-polybromide propylene, low cost, small synthetic process step, the operation is simple, convenient extraction and purification, the yield can reach 80% or more. (by machine translation)

Oxidative rearrangement of malondialdehyde: Substrate scope and mechanistic insights

A novel oxidative rearrangement of malondialdehyde was described. Under the effect of H2O2, malondialdehyde smoothly transferred to carboxylic acid with C-C bond cleavage in good to excellent yields. Mechanistic studies showed that this reaction proceeded via the formation of a 1,2-dioxolane intermediate, followed by concert C-C, O-O, C-H bond cleavage and a hydride shift.