(5-Ethyl-1,2-oxazol-3-yl)methanol

Base Information

• Chemical Name: (5-Ethyl-1,2-oxazol-3-yl)methanol
• CAS No.: 60148-49-4
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.14
• DSSTox Substance ID: DTXSID50483829
• Wikidata: Q82321558
• Mol file: 60148-49-4.mol

Synonyms:60148-49-4;(5-Ethyl-1,2-oxazol-3-yl)methanol;(5-ethylisoxazol-3-yl)Methanol;(5-Ethylisoxazole-3-yl)methanol;SCHEMBL2759543;DTXSID50483829;AKOS003673262;CS-0239167;FT-0713594;EN300-206939

Chemical Property of (5-Ethyl-1,2-oxazol-3-yl)methanol

Chemical Property:

• PSA: 46.26000
• LogP: 0.72930
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

98% ^*data from raw suppliers

(5-ethylisoxazol-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=NO1)CO

Technology Process of (5-Ethyl-1,2-oxazol-3-yl)methanol

There total 4 articles about (5-Ethyl-1,2-oxazol-3-yl)methanol 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: 85.0%

methyl 5-ethylisoxazole-3-carboxylate → (5-ethylisoxazol-3-yl)methanol (60148-49-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

Reference yield:

5-ethyl isoxazole 3-carboxylic acid (52320-59-9) → (5-ethylisoxazol-3-yl)methanol (60148-49-4)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 0.5 h / 0 °C

2: lithium aluminium hydride / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

With lithium aluminium hydride; thionyl chloride; In tetrahydrofuran;

Reference yield:

(5-methyl-isoxazol-3-yl)-methanol (35166-33-7) + methyl iodide (74-88-4) → (5-ethylisoxazol-3-yl)methanol (60148-49-4)

Guidance literature:

Multistep reaction; (i) nBuLi, THF, hexane, (ii) /BRN= 969135/;

upstream raw materials:

(5-methyl-isoxazol-3-yl)-methanol

methyl iodide

5-ethyl isoxazole 3-carboxylic acid