3-METHYL-1,3-THIAZOLANE-2,4-DIONE

Base Information

• Chemical Name: 3-METHYL-1,3-THIAZOLANE-2,4-DIONE
• CAS No.: 16312-21-3
• Molecular Formula: C4H5 N O2 S
• Molecular Weight: 131.155
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50361613
• Nikkaji Number: J356.931D
• Wikidata: Q82144003
• Mol file: 16312-21-3.mol

Synonyms:3-Methyl-1,3-thiazolidine-2,4-dione;3-Methylthiazolidine-2,4-dione

Chemical Property of 3-METHYL-1,3-THIAZOLANE-2,4-DIONE

Chemical Property:

• Vapor Pressure: 0.26mmHg at 25°C
• Melting Point: 40-43°C
• Boiling Point: 204.7°Cat760mmHg
• PKA: -2.27±0.20(Predicted)
• Flash Point: 77.6°C
• PSA: 62.68000
• Density: 1.421g/cm³
• LogP: 0.24950
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 131.00409958
• Heavy Atom Count: 8
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

3-Methylthiazolidine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CSC1=O
• Uses: 3-methyl-1,3-thiazolidine-2,4-dione can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Technology Process of 3-METHYL-1,3-THIAZOLANE-2,4-DIONE

There total 21 articles about 3-METHYL-1,3-THIAZOLANE-2,4-DIONE 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: 90.0%

1,4,4,6-tetramethyl-1,4-dihydropyrimidine-2(3H)-thione (37929-27-4) + chloroacetic acid (79-11-8) → 3-methyl-thiazolidine-2,4-dione (16312-21-3)

Guidance literature:

In water; for 4h; Heating;

DOI:10.1016/S0040-4020(01)88577-X

Reference yield: 89.0%

thiazoline-2,4-dione (2295-31-0) + methyl iodide (74-88-4) → 3-methyl-thiazolidine-2,4-dione (16312-21-3)

Guidance literature:

With potassium carbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 30 ℃; for 1.5h;

Reference yield: 89.0%

1,3-thiazolidine-2,4-dione potassium salt (39131-10-7) → 3-methyl-thiazolidine-2,4-dione (16312-21-3)

Guidance literature:

In N,N-dimethyl-formamide; Reflux;

DOI:10.1021/jm400828u

upstream raw materials:

diazomethane

thiazoline-2,4-dione

sodium methylate

methyl iodide

Downstream raw materials:

Methyl thioglycolate

mercaptoacetic acid

methylamine

C₁₃H₁₀N₂O₂S

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS". Page/Page column 45. . Retrieved 2020/08/28.
• 2、 Kotha, Sambasivarao,Sreevani, Gaddamedi,Dzhemileva, Lilya U.,Yunusbaeva, Milyausha M.,Dzhemilev, Usein M.,D’yakonov, Vladimir A.. "Diversity-oriented synthesis of spirothiazolidinediones and their biological evaluation". supporting information. p. 2774 - 2781. Retrieved 2019/12/11.