5,5-Dimethyl-1,3-oxazolidine-2-thione

Base Information

• Chemical Name: 5,5-Dimethyl-1,3-oxazolidine-2-thione
• CAS No.: 3980-52-7
• Molecular Formula: C₅H₉NOS
• Molecular Weight: 131.199
• NSC Number: 79164
• UNII: XN26Z74DZE
• DSSTox Substance ID: DTXSID20192875
• Nikkaji Number: J1.240.470K
• Wikidata: Q83065549
• Mol file: 3980-52-7.mol

Synonyms:5,5'-dimethyl-2-thiooxazolidone

Chemical Property of 5,5-Dimethyl-1,3-oxazolidine-2-thione

Chemical Property:

• Vapor Pressure: 6.28mmHg at 25°C
• Boiling Point: 139.9°C at 760 mmHg
• Flash Point: 38.4°C
• Density: 1.16g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 131.04048508
• Heavy Atom Count: 8
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CNC(=S)O1)C

Technology Process of 5,5-Dimethyl-1,3-oxazolidine-2-thione

There total 8 articles about 5,5-Dimethyl-1,3-oxazolidine-2-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: 80.0%

potassium ethyl xanthogenate (140-89-6) + 1-Amino-2-methyl-propan-2-ol (2854-16-2) → 5,5-di-methyl-1,3-oxazolidine-2-thione (3980-52-7)

Guidance literature:

In ethanol; at 100 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0037-1612124

Reference yield: 40.4%

carbon disulfide (75-15-0,12122-00-8) + 2-Amino-1-phenylethanol (7568-93-6,1936-63-6) → 5,5-di-methyl-1,3-oxazolidine-2-thione (3980-52-7)

Guidance literature:

carbon disulfide; 2-Amino-1-phenylethanol; With triethylamine; In methanol; at 0 - 20 ℃; for 3h;

With dihydrogen peroxide; In methanol; water; at 0 ℃;

DOI:10.1016/j.fct.2017.10.005

Reference yield: 40.4%

carbon disulfide (75-15-0,12122-00-8) + 1-Amino-2-methyl-propan-2-ol (2854-16-2) → 5,5-di-methyl-1,3-oxazolidine-2-thione (3980-52-7)

Guidance literature:

carbon disulfide; 1-Amino-2-methyl-propan-2-ol; With triethylamine; In methanol; at 0 - 20 ℃; for 3h;

With dihydrogen peroxide; In methanol; water; at 0 ℃;

DOI:10.1016/j.fct.2017.10.005

upstream raw materials:

1-Amino-2-methyl-propan-2-ol

chloroformic acid ethyl ester

S-(β-hydroxy-N-sulfooxy-isovalerimidoyl)-1-thio-β-D-glucopyranose; potassium

carbon disulfide

Downstream raw materials:

5,5-dimethylthiazolidine-2-thione