2-Ethyl-5-phenyl-1,2-oxazole-3-thione

Base Information

• Chemical Name: 2-Ethyl-5-phenyl-1,2-oxazole-3-thione
• CAS No.: 17281-09-3
• Molecular Formula: C11H11NOS
• Molecular Weight: 205.28
• DSSTox Substance ID: DTXSID501284424
• Mol file: 17281-09-3.mol

Synonyms:17281-09-3;DTXSID501284424;2-Ethyl-5-phenyl-3(2H)-isoxazolethione

Chemical Property of 2-Ethyl-5-phenyl-1,2-oxazole-3-thione

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.05613515
• Heavy Atom Count: 14
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=S)C=C(O1)C2=CC=CC=C2

Technology Process of 2-Ethyl-5-phenyl-1,2-oxazole-3-thione

There total 2 articles about 2-Ethyl-5-phenyl-1,2-oxazole-3-thione 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:

3-chloro-2-ethyl-5-phenyl-isoxazolium; chloride (17281-04-8) → 2-ethyl-5-phenyl-isoxazole-3-thione (17281-09-3)

Guidance literature:

With sodium hydrogensulfide; In water;

Reference yield:

2-ethyl-5-phenyl-isoxazol-3-one (945-59-5) → 2-ethyl-5-phenyl-isoxazole-3-thione (17281-09-3)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / CCl₄ / 2 h / 70 °C

2: NaSH / H₂O

With sodium hydrogensulfide; oxalyl dichloride; In tetrachloromethane; water;

Reference yield: 54.6%

2-ethyl-5-phenyl-isoxazole-3-thione (17281-09-3) → 2-ethyl-5-phenyl-4-isothiazolin-3-thione (30162-69-7) + 3-ethylimino-5-phenyl-1,2-dithiol (74699-71-1)

Guidance literature:

With hydrogen sulfide; hydrogen bromide; In acetic acid; at 100 - 110 ℃; for 5h;

DOI:10.1248/cpb.28.487

upstream raw materials:

3-chloro-2-ethyl-5-phenyl-isoxazolium; chloride

2-ethyl-5-phenyl-isoxazol-3-one

Downstream raw materials:

3-ethoxycarbonylmethylsulfanyl-2-ethyl-5-phenyl-isoxazolium; bromide

2-ethyl-5-phenyl-4-isothiazolin-3-thione

3-ethylimino-5-phenyl-1,2-dithiol