Propanedioic acid, phenyl-2-propenyl-, diethyl ester

Base Information

• Chemical Name: Propanedioic acid, phenyl-2-propenyl-, diethyl ester
• CAS No.: 50790-26-6
• Molecular Formula: C16H20O4
• Molecular Weight: 276.332
• Mol file: 50790-26-6.mol

Synonyms:Allyl-phenyl-malonsaeure-diaethylester;diethyl allylphenylmalonate;allyl-phenyl-malonic acid diethyl ester;Propanedioic acid,phenyl-2-propenyl-,diethyl ester;2-Phenyl-2-allyl-ethylmalonat;diethyl-2-phenyl-2-allyl-malonate;

Chemical Property of Propanedioic acid, phenyl-2-propenyl-, diethyl ester

Chemical Property:

• PSA: 52.60000
• LogP: 2.62670

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Diethyl 2-allyl-2-phenylmalonate is an intermediate int he synthesis ofAlphenal which is a Barbituric Acid (B118650) derivative with anti-convulsive properties. Controlled Substance.

Technology Process of Propanedioic acid, phenyl-2-propenyl-, diethyl ester

There total 8 articles about Propanedioic acid, phenyl-2-propenyl-, diethyl ester 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: 83.0%

allyl bromide (106-95-6) + diethyl 2-phenylmalonate (83-13-6) → diethyl 2-phenyl-2-allylmalonate (50790-26-6)

Guidance literature:

diethyl 2-phenylmalonate; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.166667h; Inert atmosphere;

allyl bromide; In N,N-dimethyl-formamide; mineral oil; for 1h; Inert atmosphere;

DOI:10.1002/anie.201500596

Reference yield: 67.0%

diethyl 2-phenylmalonate (83-13-6) → diethyl 2-phenyl-2-allylmalonate (50790-26-6)

Guidance literature:

With ionic liquid; phosphine ligand; triethylamine; palladium catalyst; at 20 ℃; for 5h;

DOI:10.1007/s00706-007-0710-6

Reference yield:

2-Phenylbutyric acid (90-27-7) + allyl bromide (106-95-6) + diethyl 2-phenylmalonate (83-13-6) → diethyl 2-phenyl-2-allylmalonate (50790-26-6)

Guidance literature:

In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; benzene;

upstream raw materials:

sodium diethyl-2-phenylmalonate

allyl bromide

allyl iodid

3-chloroprop-1-ene

Downstream raw materials:

2-phenyl-pent-4-enoic acid-(2-piperidino-ethyl ester)

2-phenyl-pent-4-enoic acid

allyl-phenyl-malonic acid

diethyl 2-phenylmalonate

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