2,4-Thiazolidinedione, 3-[(4-methylphenyl)methyl]-

Base Information

• Chemical Name: 2,4-Thiazolidinedione, 3-[(4-methylphenyl)methyl]-
• CAS No.: 103986-16-9
• Molecular Formula: C11H11NO2S
• Molecular Weight: 221.28
• DSSTox Substance ID: DTXSID60361609
• Wikidata: Q82143994
• Mol file: 103986-16-9.mol

Synonyms:103986-16-9;2,4-Thiazolidinedione, 3-[(4-methylphenyl)methyl]-;3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione;3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione;3-(4-Methylbenzyl)thiazolidine-2,4-dione;HMS1409C08;Enamine_005332;3-(4-methylbenzyl)-1,3-thiazolane-2,4-dione;SCHEMBL6692164;DTXSID60361609;MFCD03614561;STL378943;AKOS000294510;MS-2743;3-(4-methylbenzyl)-thiazolidine-2,4-dione;CS-0116936;SR-01000308630;SR-01000308630-1;Z26363472

Chemical Property of 2,4-Thiazolidinedione, 3-[(4-methylphenyl)methyl]-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.05104977
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CN2C(=O)CSC2=O

Technology Process of 2,4-Thiazolidinedione, 3-[(4-methylphenyl)methyl]-

There total 4 articles about 2,4-Thiazolidinedione, 3-[(4-methylphenyl)methyl]- 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: 88.0%

1,3-thiazolidine-2,4-dione potassium salt (39131-10-7) → 3-(4-methyl-benzyl)-thiazolidine-2,4-dione (103986-16-9)

Guidance literature:

In N,N-dimethyl-formamide; Reflux;

DOI:10.1021/jm400828u

Reference yield: 21.0%

thiazoline-2,4-dione (2295-31-0) + 4-Methylbenzyl chloride (104-82-5) → 3-(4-methyl-benzyl)-thiazolidine-2,4-dione (103986-16-9)

Guidance literature:

thiazoline-2,4-dione; With sodium hydroxide; In ethanol; water; for 0.166667h;

4-Methylbenzyl chloride; In ethanol; water; for 24h; Heating;

DOI:10.1515/HC.2001.7.6.523

Reference yield:

thiazoline-2,4-dione (2295-31-0) + 4-Methylbenzyl bromide (104-81-4) → 3-(4-methyl-benzyl)-thiazolidine-2,4-dione (103986-16-9)

Guidance literature:

thiazoline-2,4-dione; With potassium hydroxide; In ethanol; at 20 ℃;

4-Methylbenzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1039/c8nj03248c

upstream raw materials:

thiazoline-2,4-dione

4-Methylbenzyl chloride

1,3-thiazolidine-2,4-dione potassium salt

4-Methylbenzyl bromide

Downstream raw materials:

C₁₈H₁₅NO₃S

5-(5-bromo-2-methoxy-benzylidene)-3-(4-methyl-benzyl)-thiazolidine-2,4-dione

5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-3-(4-methyl-benzyl)-thiazolidine-2,4-dione