Ethyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate
• CAS No.: 4620-52-4
• Molecular Formula: C13H13 N O3
• Molecular Weight: 231.251
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80484081
• Nikkaji Number: J881.310H
• Wikidata: Q82322095
• Mol file: 4620-52-4.mol

Synonyms:ethyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate;4620-52-4;Ethyl 4-methyl-2-phenyloxazole-5-carboxylate;ethyl 4-methyl-2-phenyl-oxazole-5-carboxylate;SCHEMBL11622665;DTXSID80484081;WDUXWFHGMSDULL-UHFFFAOYSA-N;MFCD11055261;5-carbethoxy-2-phenyl-4-methyloxazole;AKOS014777907;CS-10488;CS-0264102;Ethyl4-methyl-2-phenyloxazole-5-carboxylate;FT-0747505;EN300-91842;J-521045

Chemical Property of Ethyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate

Chemical Property:

• PSA: 52.33000
• LogP: 2.82670
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.08954328
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-Methyl-2-phenyl-1,3-oxazole-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)C2=CC=CC=C2)C

Technology Process of Ethyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate

There total 10 articles about Ethyl 4-methyl-2-phenyl-1,3-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: 88.0%

3-benzamido-2-butenoic acid ethyl ester (60050-48-8) → Ethyl 4-methyl-2-phenyloxazole-5-carboxylate (4620-52-4)

Guidance literature:

With N-Bromosuccinimide; dimethylsulfide; potassium carbonate; In N,N-dimethyl-formamide; toluene; at 20 - 70 ℃;

DOI:10.1039/c4nj01101e

Reference yield: 75.0%

ethyl acetoacetate (141-97-9) + benzamide (55-21-0,27208-38-4) → Ethyl 4-methyl-2-phenyloxazole-5-carboxylate (4620-52-4)

Guidance literature:

With dipotassium peroxodisulfate; sodium hydrogencarbonate; copper(ll) bromide; palladium dichloride; In 1,2-dichloro-ethane; at 120 ℃; for 24h; Schlenk technique;

DOI:10.1021/ol502916a

Reference yield: 48.0%

ethyl 2-diazo-3-oxobutanoate (2009-97-4) + benzamide (55-21-0,27208-38-4) → Ethyl 4-methyl-2-phenyloxazole-5-carboxylate (4620-52-4)

Guidance literature:

With silver hexafluoroantimonate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In ethyl acetate; at 100 ℃; for 8h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01541

upstream raw materials:

benzamide

ethyl 2-chloro-3-oxo-butyrate

ethyl acetoacetate

benzoic acid 1-ethoxycarbonyl-2-oxopropyl ester

Downstream raw materials:

4-methyl-2-phenyl-oxazole-5-carboxylic acid amide

4-methyl-2-phenyl-1,3-oxazole-5-carboxylic acid

C₃₃H₃₈N₂O₇

ethyl 4-(bromomethyl)-2-phenyl-1,3-oxazole-5-carboxylate