Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate

Base Information

• Chemical Name: Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate
• CAS No.: 33123-71-6
• Molecular Formula: C10H15NO3
• Molecular Weight: 197.231
• European Community (EC) Number: 830-097-2
• Mol file: 33123-71-6.mol

Synonyms:Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate;33123-71-6;5-tert-Butyl-2-oxazolecarboxylic Acid Ethyl Ester;Ethyl 5-(tert-butyl)oxazole-2-carboxylate;5-tert-butyl-oxazole-2-carboxylic acid ethyl ester;SCHEMBL1980103;XJAFBPCIGZMUPR-UHFFFAOYSA-N;AKOS027447781;CS-0257458;EN300-67308;Z1079126052

Chemical Property of Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate

Chemical Property:

• Boiling Point: 256.6±33.0 °C(Predicted)
• PKA: -0.99±0.10(Predicted)
• PSA: 52.33000
• Density: 1.057±0.06 g/cm3(Predicted)
• LogP: 2.14880
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.10519334
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

5-tert-Butyl-2-oxazolecarboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC=C(O1)C(C)(C)C
• Uses: 5-tert-Butyl-2-oxazolecarboxylic Acid Ethyl Ester, can be used in the synthesis of more complex pharmaceutical and biologically active compounds.

Technology Process of Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate

There total 6 articles about Ethyl 5-tert-butyl-1,3-oxazole-2-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: 58.0%

N-(3,3-dimethyl-2-oxo-butyl)-oxalamic acid ethyl ester (33140-32-8) → ethyl 5-(tert-butyl)oxazole-2-carboxylate (33123-71-6)

Guidance literature:

With trichlorophosphate; In water; toluene;

Reference yield: 47.0%

Ethyl isocyanoacetate (2999-46-4) + pivaloyl chloride (3282-30-2) → ethyl 5-(tert-butyl)oxazole-2-carboxylate (33123-71-6)

Guidance literature:

With silver based metal organic framework; In 1,4-dioxane; at 80 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1002/cctc.201900965

Reference yield: 24.0%

5-tert-butylisoxazole-3-carboxylic acid ethyl ester (91252-54-9) → ethyl 5-(tert-butyl)oxazole-2-carboxylate (33123-71-6)

Guidance literature:

In acetonitrile; UV-irradiation; Heating; Flow reactor;

DOI:10.1021/acs.joc.9b03399

upstream raw materials:

N-(3,3-dimethyl-2-oxo-butyl)-oxalamic acid ethyl ester

Ethyl isocyanoacetate

pivaloyl chloride

(Z)-ethyl 2-hydroxy-5,5-dimethyl-4-oxohex-2-enoate

Downstream raw materials:

5-tert-butyl-oxazole-2-carboxylic acid

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