diethyl 2-(acetylamino)-2-[4-(trifluoromethyl)benzyl]malonate

Base Information

• Chemical Name: diethyl 2-(acetylamino)-2-[4-(trifluoromethyl)benzyl]malonate
• CAS No.: 114872-59-2
• Molecular Formula: C17H20F3NO5
• Molecular Weight: 375.345
• Mol file: 114872-59-2.mol

Synonyms:diethyl 2-acetamido-2-(4-(trifluoromethyl)benzyl)malonate;diethyl α-acetamido, α-(4-trifluoromethylbenzyl)malonate;2-Acetylamino-2-(4-trifluoromethyl-benzyl)-malonic acid diethyl ester;

Chemical Property of diethyl 2-(acetylamino)-2-[4-(trifluoromethyl)benzyl]malonate

Chemical Property:

• PSA: 81.70000
• LogP: 2.63990

Purity/Quality:

99.90% ^*data from raw suppliers

DIETHYL-2-(ACETYLAMINO)-2-[4-(TRIFLUOROMETHYL)BENZYL]MALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of diethyl 2-(acetylamino)-2-[4-(trifluoromethyl)benzyl]malonate

There total 4 articles about diethyl 2-(acetylamino)-2-[4-(trifluoromethyl)benzyl]malonate 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: 86.0%

para-(trifluoromethyl)benzyl acetate (89751-95-1) + 2-acetylaminomalonic acid diethyl ester (1068-90-2) → diethyl 2-acetamido-2-<<4-(trifluoromethyl)phenyl>methyl>malonate (114872-59-2)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium carbonate; {(η4-1,5-cyclooctadiene)Pd(η3-allyl)}BF4; In tert-Amyl alcohol; at 80 ℃; for 48h;

DOI:10.1016/j.tetlet.2007.06.157

Reference yield:

2-acetylaminomalonic acid diethyl ester (1068-90-2) → diethyl 2-acetamido-2-<<4-(trifluoromethyl)phenyl>methyl>malonate (114872-59-2)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1021/jm00349a006

Reference yield:

diethyl malonate (105-53-3) → diethyl 2-acetamido-2-<<4-(trifluoromethyl)phenyl>methyl>malonate (114872-59-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / sodium nitrite

2: 86 percent / K₂CO₃ / acetonitrile / Heating

With potassium carbonate; sodium nitrite; In acetonitrile; 1: Addition / 2: Alkylation;

upstream raw materials:

2-acetylaminomalonic acid diethyl ester

para-(trifluoromethyl)benzyl acetate

diethyl malonate

4-methylbenzotrifluoride

Downstream raw materials:

C₂₅H₂₀F₃NO₄

2-acetamido-3-(4-(trifluoromethyl)phenyl)propanoic acid

(S)-4-trifluoromethylphenylalanine

methyl (R)-2-acetamido-3-(4-(trifluoromethyl)phenyl)propanoate