Ethyl 2,4-dimethyloxazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 2,4-dimethyloxazole-5-carboxylate
• CAS No.: 23012-30-8
• Molecular Formula: C8H11 N O3
• Molecular Weight: 169.1778
• Hs Code.: 2934999090
• European Community (EC) Number: 844-371-4
• NSC Number: 238862
• DSSTox Substance ID: DTXSID80311141
• Nikkaji Number: J988.201D
• Wikidata: Q82060574
• Mol file: 23012-30-8.mol

Synonyms:ethyl 2,4-dimethyloxazole-5-carboxylate;23012-30-8;ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate;5-Oxazolecarboxylic acid, 2,4-dimethyl-, ethyl ester;ETHYL2,4-DIMETHYLOXAZOLE-5-CARBOXYLATE;NSC238862;SCHEMBL3274432;DTXSID80311141;MFCD06254441;STL388002;AKOS000320124;AM86169;NSC 238862;NSC-238862;CS-10486;Ethyl 2,4-dimethyl-oxazole-5-carboxylate;BB 0238355;CS-0218057;FT-0656650;EN300-99625;2,4-Dimethyloxazole-5-carboxylic acid ethyl ester;A816486;2,4-Dimethyl-oxazole-5-carboxylic acid ethyl ester;2,4-Dimethyl-oxazole-5-carboxylic acid ethyl ester;Z1198168595

Chemical Property of Ethyl 2,4-dimethyloxazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.0826mmHg at 25°C
• Boiling Point: 226.3°Cat760mmHg
• Flash Point: 90.6°C
• PSA: 52.33000
• Density: 1.11g/cm³
• LogP: 1.46810
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

≥95% ^*data from raw suppliers

ethyl2,4-dimethyloxazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(O1)C)C

Technology Process of Ethyl 2,4-dimethyloxazole-5-carboxylate

There total 10 articles about Ethyl 2,4-dimethyloxazole-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: 90.0%

ethyl (Z)-β-acetylaminobut-2-enoate (23652-67-7,55572-47-9,23652-56-4) → 2,4-dimethyloxazole-5-ylcarboxylate ethyl ester (23012-30-8)

Guidance literature:

With boron trifluoride diethyl etherate; 1-fluoro-3,3-dimethyl-1,3-dihydro-1λ³-benzo[d][1,2]iodaoxole; In acetonitrile; at 60 ℃; for 3h; Schlenk technique; Molecular sieve;

DOI:10.1039/c9ob01895f

Reference yield: 58.0%

acetamide (60-35-5) + ethyl acetoacetate (141-97-9) → 2,4-dimethyloxazole-5-ylcarboxylate ethyl ester (23012-30-8)

Guidance literature:

ethyl acetoacetate; With hydroxy(phenyl)-λ³-iodanyl 2,4-dinitrobenzenesulfonate; for 0.0111111h; microwave irradiation;

acetamide; for 0.0333333h; microwave irradiation;

DOI:10.1016/S0040-4039(02)02493-0

Reference yield: 26.0%

acetamide (60-35-5) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → 2,4-dimethyloxazole-5-ylcarboxylate ethyl ester (23012-30-8)

Guidance literature:

With acetic acid; for 22h; Heating;

DOI:10.1002/jhet.5570350413

upstream raw materials:

ammonium acetate

acetic acid

2-acetoxy-acetoacetic acid ethyl ester

ethyl (2-chloroaceto)acetate

Downstream raw materials:

5-hydroxymethyl-2,4-dimethyloxazole

5-chloromethyl-2,4-dimethyloxazole

2,4-dimethyloxazole-5-carbaldehyde

2,4-dimethyl-oxazole-5-carboxylic acid

Refernces

• 1、 Aguado, Andreina,Boulos, John,Carreras, Anladys,Montoya, Angelica,Rodriquez, Judith. "Synthesis of furanyl and oxazolyl N-substituted piperidine and imidazoline salts as potential agonists of M1 muscarinic receptors". . p. 1517 - 1520. Retrieved 2008/09/18.
• 2、 Boulos, John,Stujenske, Christina. "Synthesis of oxazolyl-substituted morpholinium salts". . p. 443 - 445. Retrieved 2007/10/03.