4-Ethyl-2-oxazolidinethione

Base Information

• Chemical Name: 4-Ethyl-2-oxazolidinethione
• CAS No.: 13997-20-1
• Molecular Formula: C5H9NOS
• Molecular Weight: 131.1961
• NSC Number: 203361,74572
• UNII: 9O4PHH80KG
• DSSTox Substance ID: DTXSID80873512
• Nikkaji Number: J42.625C
• Wikidata: Q27272810
• Mol file: 13997-20-1.mol

Synonyms:4-Ethyl-2-oxazolidinethione;4-Ethyl-2-thiooxazolidone;2-Oxazolidinethione, 4-ethyl-;4-ethyloxazolidine-2-thione;13997-20-1;UNII-9O4PHH80KG;NSC 203361;9O4PHH80KG;NSC-74572;NSC-203361;4-ethyl-1,3-oxazolidine-2-thione;NSC74572;NCIOpen2_000649;2-Oxazolidinethione, 4-ethyl;SCHEMBL11036913;DTXSID80873512;NSC203361;AKOS006351309;J42.625C;LS-100463;4-ETHYL-2-OXAZOLIDINETHIONE, (+/-)-;Q27272810

Chemical Property of 4-Ethyl-2-oxazolidinethione

Chemical Property:

• Vapor Pressure: 2.89mmHg at 25°C
• Boiling Point: 156.5°Cat760mmHg
• Flash Point: 48.4°C
• PSA: 53.35000
• Density: 1.16g/cm³
• LogP: 0.99850
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 131.04048508
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1COC(=S)N1

Technology Process of 4-Ethyl-2-oxazolidinethione

There total 4 articles about 4-Ethyl-2-oxazolidinethione 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: 52.0%

2-aminobutanol (96-20-8,13054-87-0) + MoO2S4C2N2C4H12 → 4-ethyl-1,3-oxazolidine-2-thione (13997-20-1,59170-06-8,94238-48-9)

Guidance literature:

In toluene; for 1.5h; Heating;

DOI:10.1016/j.tetlet.2007.07.212

Reference yield:

2-aminobutanol (96-20-8,13054-87-0) + carbon disulfide (75-15-0,12122-00-8) → 4-ethyl-1,3-oxazolidine-2-thione (13997-20-1,59170-06-8,94238-48-9)

Guidance literature:

2-aminobutanol; carbon disulfide; With triethylamine; In methanol; at 0 - 20 ℃; for 0.5h;

With dihydrogen peroxide; In methanol; water; Reflux;

DOI:10.1002/jhet.862

Reference yield:

2-aminobutanol (96-20-8,13054-87-0) → 4-ethyl-1,3-oxazolidine-2-thione (13997-20-1,59170-06-8,94238-48-9)

Guidance literature:

DOI:10.1139/v56-105 DOI:10.1021/ja01132a011

upstream raw materials:

2-aminobutanol

carbon disulfide

Downstream raw materials:

4-ethyl-2-oxazolidinone