1,2,4-Oxadiazole-4(5H)-butanoicacid,3-methyl-bta,5-dioxo-,ethylester(9CI)

Base Information

• Chemical Name: 1,2,4-Oxadiazole-4(5H)-butanoicacid,3-methyl-bta,5-dioxo-,ethylester(9CI)
• CAS No.: 812675-81-3
• Molecular Formula: C₉H₁₂N₂O₅
• Molecular Weight: 228.205
• Mol file: 812675-81-3.mol

Synonyms:1,2,4-Oxadiazole-4(5H)-butanoicacid,3-methyl-bta,5-dioxo-,ethylester(9CI)

Chemical Property of 1,2,4-Oxadiazole-4(5H)-butanoicacid,3-methyl-bta,5-dioxo-,ethylester(9CI)

Chemical Property:

• PSA: 91.40000
• LogP: -0.33300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,2,4-Oxadiazole-4(5H)-butanoicacid,3-methyl-bta,5-dioxo-,ethylester(9CI)

There total 1 articles about 1,2,4-Oxadiazole-4(5H)-butanoicacid,3-methyl-bta,5-dioxo-,ethylester(9CI) 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: 58.0%

ethyl (2-chloroaceto)acetate (638-07-3) + 3-methyl-4H-[1,2,4]oxadiazol-5-one potassium salt → ethyl 4-(3-methyl-5-oxo-1,2,4-oxadiazol-4(5H)-yl)-3-oxobutanoate (812675-81-3)

Guidance literature:

With caesium carbonate; sodium iodide; In dimethyl sulfoxide; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2004.09.030

Reference yield:

ethyl 4-(3-methyl-5-oxo-1,2,4-oxadiazol-4(5H)-yl)-3-oxobutanoate (812675-81-3) → ethyl (2-methyl-1H-imidazol-5-yl)acetate (812675-83-5) + ethyl 4-(ethanimidoylamino)-3-oxobutanoate (812675-82-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 4h; under 2068.59 Torr;

DOI:10.1016/j.tet.2004.09.030

Reference yield:

ethyl 4-(3-methyl-5-oxo-1,2,4-oxadiazol-4(5H)-yl)-3-oxobutanoate (812675-81-3) → ethyl (2-methyl-1H-imidazol-5-yl)acetate (812675-83-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethanol / 4 h / 2068.59 Torr

2: Heating

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/j.tet.2004.09.030

upstream raw materials:

ethyl (2-chloroaceto)acetate

Downstream raw materials:

ethyl (2-methyl-1H-imidazol-5-yl)acetate

ethyl 4-(ethanimidoylamino)-3-oxobutanoate