Ethyl oxazole-4-carboxylate

Base Information

• Chemical Name: Ethyl oxazole-4-carboxylate
• CAS No.: 23012-14-8
• Molecular Formula: C6H7NO3
• Molecular Weight: 141.126
• Hs Code.: 2934999090
• European Community (EC) Number: 639-360-4
• DSSTox Substance ID: DTXSID00376818
• Nikkaji Number: J1.284.304F
• Wikidata: Q72476439
• Mol file: 23012-14-8.mol

Synonyms:Ethyl oxazole-4-carboxylate;23012-14-8;ethyl 1,3-oxazole-4-carboxylate;Ethyl 4-Oxazolecarboxylate;OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;4-oxazolecarboxylic acid, ethyl ester;MFCD04114940;ETHYLOXAZOLE-4-CARBOXYLATE;4-carbethoxyoxazole;SCHEMBL554720;Ethyl1,3-oxazole-4-carboxylate;DTXSID00376818;Ethyl 4-oxazolecarboxylate, 97%;UBESIXFCSFYQNK-UHFFFAOYSA-N;BCP23502;CS-D0848;4-Oxazolecarboxylic Acid Ethyl Ester;STL451609;AKOS015843421;PB21846;PS-4948;Ethyl1 pound not3-oxazole-4-carboxylate;AC-31000;SY020022;A4879;AM20090240;FT-0685294;O0289;EN300-67790;W-206800;2-ethyloxazole-4-carboxylate;F8889-4476;Z1083217768

Chemical Property of Ethyl oxazole-4-carboxylate

Chemical Property:

• Melting Point: 48 °C
• Refractive Index: n20/D 1.467
• Boiling Point: 202 °C at 760 mmHg
• PKA: -1?+-.0.10(Predicted)
• Flash Point: 75.9 °C
• PSA: 52.33000
• Density: 1.177 g/cm³
• LogP: 0.85130
• Storage Temp.: Refrigerator
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 141.042593085
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

EthylOxazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=COC=N1

Technology Process of Ethyl oxazole-4-carboxylate

There total 8 articles about Ethyl oxazole-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: 94.0%

trimethylacetic formic anhydride (10535-67-8) + Ethyl isocyanoacetate (2999-46-4) → oxazole-4-carboxylic acid ethyl ester (23012-14-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 0 - 23 ℃;

DOI:10.3987/COM-12-S(N)118

Reference yield: 84.0%

Glycine ethyl ester isocyanate (2949-22-6) → oxazole-4-carboxylic acid ethyl ester (23012-14-8)

Guidance literature:

1,1'-carbonyldiimidazole; With formic acid; In tetrahydrofuran; for 0.5h;

Glycine ethyl ester isocyanate; With triethylamine; In tetrahydrofuran; at 20 ℃; for 1h; Heating / reflux;

Reference yield: 67.0%

ethyl 2-aminooxazole-4-carboxylate (177760-52-0) → oxazole-4-carboxylic acid ethyl ester (23012-14-8)

Guidance literature:

With isopentyl nitrite; In tetrahydrofuran; at 120 ℃; for 0.333333h; under 5250.53 Torr;

DOI:10.3390/molecules24101996

upstream raw materials:

formic acid

Ethyl isocyanoacetate

1,1'-carbonyldiimidazole

ethyl N-formylglycinate

Downstream raw materials:

1,3-oxazole-4-carboxylic acid

oxazol-4-carboxamide

2-phenyl-oxazole-4-carboxylic acid ethyl ester

ethyl 2,5-diphenyloxazole-4-carboxylate