Benzenepropanoic acid, a-acetyl-a-(phenylmethyl)-, ethyl ester

Base Information

• Chemical Name: Benzenepropanoic acid, a-acetyl-a-(phenylmethyl)-, ethyl ester
• CAS No.: 42597-26-2
• Molecular Formula: C20H22O3
• Molecular Weight: 310.393
• Mol file: 42597-26-2.mol

Synonyms:Dibenzylacetessigester;α-acetyl-α-(phenylmethyl)-benzenepropanoic acid,ethyl ester;2,2-Bis-benzyl-acetessigsaeureaethylester;2,2-dibenzyl-acetoacetic acid ethyl ester;Benzenepropanoic acid, α-acetyl-α-(phenylmethyl)-, ethyl ester;2,2-Dibenzyl-acetessigsaeure-aethylester;

Chemical Property of Benzenepropanoic acid, a-acetyl-a-(phenylmethyl)-, ethyl ester

Chemical Property:

• Melting Point: 57°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 410.55°C (rough estimate)
• PSA: 43.37000
• Density: 1.0855 (rough estimate)
• LogP: 3.61030

Purity/Quality:

99% ^*data from raw suppliers

ETHYL 2,2-DIBENZYL-3-OXOBUTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenepropanoic acid, a-acetyl-a-(phenylmethyl)-, ethyl ester

There total 12 articles about Benzenepropanoic acid, a-acetyl-a-(phenylmethyl)-, ethyl 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: 96.0%

benzyl bromide (100-39-0) + ethyl acetoacetate (141-97-9) → 2,2-dibenzyl-acetoacetic acid ethyl ester (42597-26-2)

Guidance literature:

With potassium carbonate; [bmim]BF₄; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.tetlet.2004.11.141

Reference yield: 42.0%

ethyl acetoacetate (141-97-9) + benzyl chloride (100-44-7) → 2,2-dibenzyl-acetoacetic acid ethyl ester (42597-26-2) + Ethyl 2-benzylacetoacetate (620-79-1)

Guidance literature:

With sodium ethanolate; In ethanol; for 6.5h; Heating;

DOI:10.1055/s-1990-27093

Reference yield: 11.7%

benzyl bromide (100-39-0) + ethyl acetoacetate (141-97-9) → 2,2-dibenzyl-acetoacetic acid ethyl ester (42597-26-2) + Ethyl 2-benzylacetoacetate (620-79-1)

Guidance literature:

With cetyltrimethylammonim bromide; sodium carbonate; In water; acetonitrile; for 24h; Ambient temperature;

upstream raw materials:

ethyl acetoacetate

benzyl chloride

ethanol

sodium ethyl acetylacetate enolate

Downstream raw materials:

3-benzyl-4-phenyl-2-butanone

ethyl iodide

C₂₀H₂₁BrO₃

N-(1,1-dibenzyl-2-hydroxy-ethyl)-acetamide