Ethyl oxazole-5-carboxylate

Base Information

• Chemical Name: Ethyl oxazole-5-carboxylate
• CAS No.: 118994-89-1
• Molecular Formula: C6H7NO3
• Molecular Weight: 141.126
• Hs Code.: 2934999090
• European Community (EC) Number: 640-210-5
• DSSTox Substance ID: DTXSID30449963
• Nikkaji Number: J1.098.312F
• Wikidata: Q72498265
• Mol file: 118994-89-1.mol

Synonyms:ETHYL OXAZOLE-5-CARBOXYLATE;118994-89-1;Ethyl 1,3-oxazole-5-carboxylate;5-OXAZOLECARBOXYLIC ACID, ETHYL ESTER;ETHYL 5-OXAZOLECARBOXYLATE;MFCD04114930;OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER;ETHYLOXAZOLE-5-CARBOXYLATE;5-ethoxycarbonyloxazole;SCHEMBL414791;DTXSID30449963;Ethyl 5-oxazolecarboxylate, 96%;KRMORCCAHXFIHF-UHFFFAOYSA-N;5-Oxazolecarboxylicacid,ethyl ester;5-Oxazolecarboxylic acid ethyl ester;STL453561;AKOS012536499;AB19292;CS-W003174;PS-4900;SY025474;A2468;AM20080129;FT-0660243;EN300-91763;W-205029

Chemical Property of Ethyl oxazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.3mmHg at 25°C
• Refractive Index: n20/D 1.468
• Boiling Point: 201.966 °C at 760 mmHg
• PKA: -1.08±0.10(Predicted)
• Flash Point: 75.947 °C
• PSA: 52.33000
• Density: 1.177 g/cm³
• LogP: 0.85130
• Storage Temp.: Keep Cold
• Water Solubility.: Soluble in water (35 g/L at 25°C).
• 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-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=CO1
• Description: Ethyl Oxazole-5-carboxylate belongs to the carboxylic ester group of organic compounds,and it is a useful research chemical.
• Uses: Ethyl oxazole-5-carboxylate is used as a pharmaceutical, organic intermediate and in organic light-emitting diode.

Technology Process of Ethyl oxazole-5-carboxylate

There total 4 articles about Ethyl oxazole-5-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: 92.0%

glyoxylic acid ethyl ester (924-44-7) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → oxazol-5-yl-carboxylic acid ethyl ester (118994-89-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; toluene; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1135/cccc2009016

Reference yield: 71.0%

methyl isocyanate (593-75-9,685498-28-6) + oxalic acid diethyl ester (95-92-1) → oxazol-5-yl-carboxylic acid ethyl ester (118994-89-1)

Guidance literature:

methyl isocyanate; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.33333h;

oxalic acid diethyl ester; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1021/jo981367d

Reference yield:

glyoxylic acid ethyl ester (924-44-7) + 1-((isocyanomethyl)sulfonyl)-2-methylbenzene → oxazol-5-yl-carboxylic acid ethyl ester (118994-89-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 ℃; Inert atmosphere;

upstream raw materials:

methyl isocyanate

oxalic acid diethyl ester

glyoxylic acid ethyl ester

[(p-methylphenyl)sulfonylmethyl]isonitrile

Downstream raw materials:

4-iodo-5-carbethoxyoxazole

ethyl 2-chloro-1,3-oxazole-5-carboxylate

C₁₆H₁₄N₂O₃S

ethyl 2-(p-tolyl)oxazole-5-carboxylate