1,3-Oxazolidine-2-thione

Base Information

• Chemical Name: 1,3-Oxazolidine-2-thione
• CAS No.: 5840-81-3
• Molecular Formula: C3H5 N O S
• Molecular Weight: 103.145
• Hs Code.: 29349990
• European Community (EC) Number: 861-850-3
• NSC Number: 209913,15071
• UNII: 6SMJ3CUW4C
• DSSTox Substance ID: DTXSID20873511
• Nikkaji Number: J117.119D
• Wikidata: Q27265448
• Mol file: 5840-81-3.mol

Synonyms:(2-hydroxyethyl)thiocarbamic acid, gamma-lactone;2-oxazolidinethione

Chemical Property of 1,3-Oxazolidine-2-thione

Chemical Property:

• Appearance/Colour: white to slightly beige crystalline powder
• Vapor Pressure: 15.1mmHg at 25°C
• Melting Point: 97-99℃
• Refractive Index: 1.5130 (estimate)
• Boiling Point: 120.7 °C at 760 mmHg
• PKA: 13.79±0.20(Predicted)
• Flash Point: 26.8 °C
• PSA: 53.35000
• Density: 1.31 g/cm³
• LogP: 0.21990
• Storage Temp.: 0-6°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 103.00918496
• Heavy Atom Count: 6
• Complexity: 73.2

Purity/Quality:

97% ^*data from raw suppliers

Oxazolidine-2-thione ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=S)N1
• Uses: Oxazolidine-2-thione can be used as a photoimaging material.

Technology Process of 1,3-Oxazolidine-2-thione

There total 7 articles about 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: 68.0%

2-(vinyloxy)ethyl isothiocyanate (59565-09-2) → oxazolidine-2-thione (5840-81-3) + 1,1-dimethoxyethane (534-15-6) + acetaldehyde methyl 2-isothiocyanatoethyl acetal (120678-95-7)

Guidance literature:

With methanol; C₃F₇COOH; at 53 ℃; for 1h;

Reference yield: 68.0%

methanol (67-56-1) + 2-(vinyloxy)ethyl isothiocyanate (59565-09-2) → oxazolidine-2-thione (5840-81-3) + 1,1-dimethoxyethane (534-15-6) + acetaldehyde methyl 2-isothiocyanatoethyl acetal (120678-95-7)

Guidance literature:

With C₃F₇COOH; at 53 ℃; for 1h;

Reference yield: 65.0%

2-(vinyloxy)ethyl isothiocyanate (59565-09-2) + butan-1-ol (71-36-3) → oxazolidine-2-thione (5840-81-3) + dibutyl acetal (871-22-7) + acetaldehyde butyl 2-isothiocyanatoethyl acetal (120678-97-9)

Guidance literature:

With C₃F₇COOH; at 50 - 55 ℃; for 2h;

upstream raw materials:

methanol

2-(vinyloxy)ethyl isothiocyanate

propan-1-ol

benzoic acid

Downstream raw materials:

((1S,2R)-2-Hydroxymethyl-cyclohexyl)-methyl-dithiocarbamic acid; compound with triethyl-amine

2-benzylthio-Δ²-1,3-oxazoline

2-Thioxo-oxazolidine-3-carboximidic acid p-tolyl ester

N-isobutyryloxazolidine-2-thione