Ethyl 5-methyl-2-phenyl-4-oxazoleacetate

Base Information

• Chemical Name: Ethyl 5-methyl-2-phenyl-4-oxazoleacetate
• CAS No.: 369631-83-4
• Molecular Formula: C14H15 N O3
• Molecular Weight: 245.278
• DSSTox Substance ID: DTXSID50461309
• Nikkaji Number: J2.204.008A
• Wikidata: Q82285590
• Mol file: 369631-83-4.mol

Synonyms:369631-83-4;ethyl 5-methyl-2-phenyl-4-oxazoleacetate;Ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate;ethyl2-(5-methyl-2-phenyloxazol-4-yl)acetate;ETHYL 2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ACETATE;A6367;SCHEMBL6437060;DTXSID50461309;BIYIMMVCHPSMJI-UHFFFAOYSA-N;AKOS008818899;FT-0687666;F15265;ethyl 2-(5-methyl-2-phenyl-4-oxazolyl)acetate;ethyl 2-(5-methyl-2-phenyl-oxazol-4-yl)acetate;(5-Methyl-2-phenyl-oxazol-4-yl)-acetic acid ethyl ester;Ethyl 2-(5-methyl-2-phenyloxazol-4-yl)acetate

Chemical Property of Ethyl 5-methyl-2-phenyl-4-oxazoleacetate

Chemical Property:

• Vapor Pressure: 1.11E-05mmHg at 25°C
• Boiling Point: 370.5oC at 760 mmHg
• Flash Point: 177.8oC
• PSA: 52.33000
• Density: 1.133g/cm3
• LogP: 2.75560
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 245.10519334
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(5-methyl-2-phenyloxazol-4-yl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(OC(=N1)C2=CC=CC=C2)C

Technology Process of Ethyl 5-methyl-2-phenyl-4-oxazoleacetate

There total 5 articles about Ethyl 5-methyl-2-phenyl-4-oxazoleacetate 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:

C14H15NO3 → ethyl (5-methyl-2-phenyloxazol-4-yl)acetate (369631-83-4)

Guidance literature:

With gold(III) chloride; In acetonitrile; at 45 ℃; for 2h;

DOI:10.1016/j.tetlet.2012.11.013

Reference yield:

(5-methyl-3-oxy-2-phenyl-oxazol-4-yl)-acetic acid ethyl ester → ethyl (5-methyl-2-phenyloxazol-4-yl)acetate (369631-83-4)

Guidance literature:

With acetic acid; zinc; at 40 ℃; for 0.5h;

Reference yield:

ethyl 3-hydroxyimino-4-oxopentanoate (408530-83-6) → ethyl (5-methyl-2-phenyloxazol-4-yl)acetate (369631-83-4)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / acetic acid / 2 h / 0 - 5 °C

2: 0.559 g / zinc; AcOH / 0.5 h / 40 °C

With hydrogenchloride; acetic acid; zinc; In acetic acid;

upstream raw materials:

ethyl 3-hydroxyimino-4-oxopentanoate

4-oxopentanoic acid ethyl ester

benzoyl chloride

ethyl 3-amino-(3S)-ethynylpropionate hydrochloride

Downstream raw materials:

(5-methyl-2-phenyloxazol-4-yl)ethanol