Oxazole, 5-hexyl-2,4-dimethyl-

Base Information

• Chemical Name: Oxazole, 5-hexyl-2,4-dimethyl-
• CAS No.: 20662-85-5
• Molecular Formula: C₁₁H₁₉NO
• Molecular Weight: 181.278
• DSSTox Substance ID: DTXSID50341490
• Nikkaji Number: J101.911B
• Wikidata: Q82111718
• Mol file: 20662-85-5.mol

Synonyms:Oxazole, 5-hexyl-2,4-dimethyl-;20662-85-5;5-Hexyl-2,4-dimethyloxazole;SCHEMBL13566384;DTXSID50341490;5-Hexyl-2,4-dimethyl-1,3-oxazole #

Chemical Property of Oxazole, 5-hexyl-2,4-dimethyl-

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 181.146664230
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC1=C(N=C(O1)C)C

Technology Process of Oxazole, 5-hexyl-2,4-dimethyl-

There total 3 articles about Oxazole, 5-hexyl-2,4-dimethyl- 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:

Acetic acid 1-[1-(1,1,1,3,3,3-hexamethyl-disilazan-2-yl)-eth-(Z)-ylidene]-heptyl ester (141170-68-5) → 5-Hexyl-2,4-dimethyloxazole (20662-85-5)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at 25 ℃; for 72h; Yield given;

DOI:10.1021/jo00038a020

Reference yield:

2-(Trimethylsilyl)-2-<(trimethylsilyl)oxy>octanenitrile (138754-39-9) → 5-Hexyl-2,4-dimethyloxazole (20662-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) ether, 25 deg C, overnight, 2) 0 to 25 deg C, 2-3 h

2: trimethylsilyl trifluoromethanesulfonate / CH₂Cl₂ / 72 h / 25 °C

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane;

DOI:10.1021/jo00038a020

Reference yield:

→ 5-Hexyl-2,4-dimethyloxazole (20662-85-5)

Guidance literature:

3-Hydroxy-nonan-2-on,Acetylchlorid,NH4OAc;

DOI:10.1002/oms.1210010104

upstream raw materials:

Acetic acid 1-[1-(1,1,1,3,3,3-hexamethyl-disilazan-2-yl)-eth-(Z)-ylidene]-heptyl ester

2-(Trimethylsilyl)-2-<(trimethylsilyl)oxy>octanenitrile

Refernces