3-Ethoxy-1,2-oxazole-5-carboxylic acid

Base Information

• Chemical Name: 3-Ethoxy-1,2-oxazole-5-carboxylic acid
• CAS No.: 135080-29-4
• Molecular Formula: C₆H₇NO₄
• Molecular Weight: 157.126
• European Community (EC) Number: 845-094-1
• Mol file: 135080-29-4.mol

Synonyms:135080-29-4;3-ethoxy-1,2-oxazole-5-carboxylic acid;3-ethoxyisoxazole-5-carboxylic acid;5-Isoxazolecarboxylicacid,3-ethoxy-(9CI);SCHEMBL2722839;WMZQNHZWOVCSHF-UHFFFAOYSA-N;3-ethoxyisoxazole-5-carboxylicacid;3-Ethoxy-5-isoxazolecarboxylic Acid;AKOS006325004;CS-0233336;EN300-132705;Z1198321054

Chemical Property of 3-Ethoxy-1,2-oxazole-5-carboxylic acid

Chemical Property:

• Boiling Point: 346.2±22.0 °C(Predicted)
• PKA: 2.19±0.10(Predicted)
• PSA: 72.56000
• Density: 1.326±0.06 g/cm3(Predicted)
• LogP: 0.77150
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 157.03750770
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

3-ethoxy-1,2-oxazole-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NOC(=C1)C(=O)O

Technology Process of 3-Ethoxy-1,2-oxazole-5-carboxylic acid

There total 2 articles about 3-Ethoxy-1,2-oxazole-5-carboxylic acid 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: 89.0%

Methyl (3-ethoxy)isoxazole-5-carboxylate → 3-ethoxy-5-isoxazolecarboxylic acid (135080-29-4)

Guidance literature:

In sodium hydroxide;

Reference yield: 75.0%

→ 3-ethoxy-5-isoxazolecarboxylic acid (135080-29-4)

Guidance literature:

Reference yield:

3-ethoxy-5-isoxazolecarboxylic acid (135080-29-4) + C19H18Cl2F3N3O2 (864710-30-5) → C25H23Cl2F3N4O5

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; TEA; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.11.057