Ethyl 5-ethoxy-2-methyloxazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 5-ethoxy-2-methyloxazole-4-carboxylate
• CAS No.: 3357-55-9
• Molecular Formula: C₉H₁₃NO₄
• Molecular Weight: 199.207
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10480374
• Nikkaji Number: J509.019I
• Wikidata: Q82315093
• Mol file: 3357-55-9.mol

Synonyms:ETHYL 5-ETHOXY-2-METHYLOXAZOLE-4-CARBOXYLATE;3357-55-9;SCHEMBL12426320;4-Oxazolecarboxylic acid, 5-ethoxy-2-methyl-, ethyl ester;DTXSID10480374;MFCD09953578;2-methyl-4-carbethoxy-5-ethoxyoxazole;AKOS006312263;AB55435;CS-0437323;C90453

Chemical Property of Ethyl 5-ethoxy-2-methyloxazole-4-carboxylate

Chemical Property:

• PSA: 61.56000
• LogP: 1.55840
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 199.08445790
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

95% ^*data from raw suppliers

ETHYL-5-ETHOXY-2-METHYLOXAZOLE-4-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(N=C(O1)C)C(=O)OCC

Technology Process of Ethyl 5-ethoxy-2-methyloxazole-4-carboxylate

There total 5 articles about Ethyl 5-ethoxy-2-methyloxazole-4-carboxylate 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: 60.0%

2-acetylaminomalonic acid diethyl ester (1068-90-2) → ethyl 5-methoxy-2-methyl-1,3-oxazole-4-carboxylate (3357-55-9)

Guidance literature:

With phosphorus pentoxide; In chloroform; for 6h; Heating / reflux;

Reference yield:

aminomalonic acid diethyl ester (6829-40-9) → ethyl 5-methoxy-2-methyl-1,3-oxazole-4-carboxylate (3357-55-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 2 h / Reflux

2: phosphorus pentoxide; magnesium oxide / chloroform / 20.5 h / 20 °C / Inert atmosphere; Reflux

With phosphorus pentoxide; magnesium oxide; In chloroform;

DOI:10.1016/j.ejmech.2013.01.024

Reference yield:

ethylesters of amino malonic acid (91469-69-1) → ethyl 5-methoxy-2-methyl-1,3-oxazole-4-carboxylate (3357-55-9)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / water / 5 h / Reflux

2: 2 h / Reflux

3: phosphorus pentoxide; magnesium oxide / chloroform / 20.5 h / 20 °C / Inert atmosphere; Reflux

With hydrogenchloride; phosphorus pentoxide; magnesium oxide; In chloroform; water;

DOI:10.1016/j.ejmech.2013.01.024

upstream raw materials:

1,3-diethyl 2-diazopropanedioate

acetonitrile

2-acetylaminomalonic acid diethyl ester

aminomalonic acid diethyl ester

Downstream raw materials:

2-methyl-5-ethoxyoxazole-4-carboxylic acid

3-Methyl-5,7-dioxo-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,1-dicarboxylic acid diethyl ester

2-methyl-4-(chlorocarbonyl)-5-ethoxyoxazole

2-methyl-4-(methylaminocarbonyl)-5-ethoxyoxazole

Refernces

• 1、 -. "HCV INHIBITING BI-CYCLIC PYRIMIDINES". Page/Page column 34; 35. . Retrieved 2010/10/20.