2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate

Base Information

• Chemical Name: 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate
• CAS No.: 227029-27-8
• Molecular Formula: C13H15 N O4 S
• Molecular Weight: 281.332
• DSSTox Substance ID: DTXSID30441528
• Wikidata: Q82258322
• Mol file: 227029-27-8.mol

Synonyms:227029-27-8;2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate;2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHYL METHANESULFONATE;Methanesulfonic acid 2-(5-methyl-2-phenyloxazol-4-yl)ethyl ester;4-Oxazoleethanol, 5-methyl-2-phenyl-, 4-methanesulfonate;SCHEMBL821405;2-(5-methyl-2-phenyl-4-oxazolyl)ethyl methanesulfonate;DTXSID30441528;SIRKPSSXHXSLMR-UHFFFAOYSA-N;CS-M2368;AKOS015917904;CS-13627;A4847;FT-0687665;2-(5-methyl-2-phenyloxazol-4-yl)ethylmethanesulfonate;3-(5-methyl-2-phenyloxazol-4-yl)propane-1-sulfonate;2-(5-Methyl-2-phenyl-oxazol-4-yl)ethyl methanesulfonate;Methanesulfonicacid2-(5-methyl-2-phenyloxazol-4-yl)ethylester;methanesulfonic acid 2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl ester;methanesulfonic acid 2-(5-methyl-2-phenyloxazol-4-yl)-ethyl ester

Chemical Property of 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 490.381°C at 760 mmHg
• PKA: 0.96±0.26(Predicted)
• Flash Point: 250.373°C
• PSA: 77.78000
• Density: 1.257g/cm³
• LogP: 3.24950
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 281.07217913
• Heavy Atom Count: 19
• Complexity: 373

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCOS(=O)(=O)C

Technology Process of 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate

There total 13 articles about 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl methanesulfonate 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: 100.0%

methanesulfonyl chloride (124-63-0) + (5-methyl-2-phenyloxazol-4-yl)ethanol (103788-65-4) → 2-(2-phenyl-5-methyloxazole-4-yl)ethyl methanesulfonate (227029-27-8)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃; for 1h;

DOI:10.1021/jm0496436

Reference yield: 88.0%

2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanol (17944-68-2) + methanesulfonyl chloride (124-63-0) → 2-(2-phenyl-5-methyloxazole-4-yl)ethyl methanesulfonate (227029-27-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

Reference yield:

methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate (103788-64-3) → 2-(2-phenyl-5-methyloxazole-4-yl)ethyl methanesulfonate (227029-27-8)

Guidance literature:

Multi-step reaction with 2 steps

1: LiBH₄ / tetrahydrofuran / 3 h / 50 °C

2: Et₃N / CH₂Cl₂ / 8 h / Ambient temperature

With lithium borohydride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm970771m

upstream raw materials:

methanesulfonyl chloride

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

4,5-dimethyl-2-phenyl-oxazole 3-oxide

benzaldehyde

Downstream raw materials:

methyl 3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionate

7-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-2-oxo-2H-chromene-3-carboxylic acid ethyl ester

N-{7-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-2-oxo-2H-chromen-3-yl}-acetamide

4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzaldehyde