2-ALLYL-4-PENTENOIC ACID

Base Information

• Chemical Name: 2-ALLYL-4-PENTENOIC ACID
• CAS No.: 99-67-2
• Molecular Formula: C8H12 O2
• Molecular Weight: 140.182
• Hs Code.: 2916196000
• Mol file: 99-67-2.mol

Synonyms:4-Pentenoicacid, 2-(2-propenyl)- (9CI); 4-Pentenoic acid, 2-allyl- (7CI,8CI);1,6-Heptadiene-4-carboxylic acid; 2-(2-Propenyl)-4-pentenoic acid;2-Allyl-4-pentenoic acid; Acetic acid, di-2-propenyl-; Di-2-propenylaceticacid; Diallylacetic acid; a,a-Diallylacetic acid

Chemical Property of 2-ALLYL-4-PENTENOIC ACID

Chemical Property:

• Vapor Pressure: 3.01mmHg at 25°C
• Melting Point: 48℃
• Boiling Point: 155.6°Cat760mmHg
• Flash Point: 56.4°C
• PSA: 37.30000
• Density: 0.908g/cm³
• LogP: 1.83940
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

DiallylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• 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.

Technology Process of 2-ALLYL-4-PENTENOIC ACID

There total 14 articles about 2-ALLYL-4-PENTENOIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

2,2-diallylmalonic acid (4372-31-0) → 2-allyl-4-pentenoic acid (99-67-2)

Guidance literature:

at 155 ℃; for 5h;

DOI:10.3762/bjoc.9.113

Reference yield: 92.0%

2,2-diallyl-malonaldehyde → 2-allyl-4-pentenoic acid (99-67-2)

Guidance literature:

With camphor-10-sulfonic acid; dihydrogen peroxide; In ethyl acetate; at 20 ℃; for 1h;

DOI:10.1039/c4ra11237g

Reference yield: 92.0%

4-ethoxycarbonyl-1,6-heptadiene (18325-74-1) → 2-allyl-4-pentenoic acid (99-67-2)

Guidance literature:

With potassium hydroxide; water; In ethanol; for 12h; Heating;

upstream raw materials:

2,2-diallylmalonic acid

ethyl diallyl acetoacetate

(2-propenyl)propanedioic acid diethyl ester

allyl bromide

Downstream raw materials:

dihydro-5-methyl-3-(2-propenyl)-2(3H)-furanone

2,2-diallyl acetamide

tricarallylic acid

1,7-Dibrom-heptan-carbonsaeure-4

Refernces

• 1、 Zieliński, Grzegorz K.,Majtczak, Jaros?awa,Gutowski, Maciej,Grela, Karol. "A Selective and Functional Group-Tolerant Ruthenium-Catalyzed Olefin Metathesis/Transfer Hydrogenation Tandem Sequence Using Formic Acid as Hydrogen Source". . p. 2542 - 2553. Retrieved 2018/03/09.
• 2、 Zieliski, Grzegorz Krzysztof,Samojlowicz, Cezary,Wdowik, Tomasz,Grela, Karol. "In tandem or alone: A remarkably selective transfer hydrogenation of alkenes catalyzed by ruthenium olefin metathesis catalysts". supporting information. p. 2684 - 2688. Retrieved 2015/04/14.