Ethyl benzalpyruvate

Base Information

• Chemical Name: Ethyl benzalpyruvate
• CAS No.: 17451-20-6
• Molecular Formula: C₁₂H₁₂O₃
• Molecular Weight: 204.225
• DSSTox Substance ID: DTXSID301251190
• Mol file: 17451-20-6.mol

Synonyms:ethyl benzalpyruvate;17451-20-6;3-Butenoic acid, 2-oxo-4-phenyl-, ethyl ester;ethyl 2-oxo-4-phenylbutenoate;JROXCHHVHPOBHU-UHFFFAOYSA-N;DTXSID301251190

Chemical Property of Ethyl benzalpyruvate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C=CC1=CC=CC=C1

Technology Process of Ethyl benzalpyruvate

There total 38 articles about Ethyl benzalpyruvate 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%

ethyl 3-oxo-5-phenylpent-4-enoate (1503-99-7,58369-48-5) → ethyl 4-phenyl-2-oxobut-3-enoate (55629-96-4,55674-14-1,17451-20-6)

Guidance literature:

With aluminum (III) chloride; Oxone; In water; at 20 ℃; for 4h;

DOI:10.1021/jo4009047

Reference yield: 94.0%

ethanol (64-17-5) + benzylidene pyruvic acid (17451-19-3) → ethyl 4-phenyl-2-oxobut-3-enoate (55629-96-4,55674-14-1,17451-20-6)

Guidance literature:

With sulfuric acid; at 40 ℃; Temperature;

Reference yield: 92.0%

2-Oxo-4-phenyl-3-phenylselanyl-butyric acid ethyl ester (200286-34-6) → (E)-ethyl-2-oxo-4-phenylbut-3-enoate (17451-20-6,55674-14-1,55629-96-4)

Guidance literature:

With sodium periodate; sodium hydrogencarbonate; In ethanol; water; for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(97)10117-X

upstream raw materials:

ethanol

benzylidene pyruvic acid

ethyl iodide

glyoxylic acid ethyl ester

Downstream raw materials:

C₂₁H₁₉NO₄

(E)-ethyl 5-oxo-3-phenyl-2-styryl-2,5-dihydrofuran-2-carboxylate

(E)-ethyl 3-(4-nitrophenyl)-5-oxo-2-styryl-2,5-dihydrofuran-2-carboxylate

4-ethyl 1,1-dimethyl 4-oxo-2-phenylbutane-1,1,4-tricarboxylate