2(3H)-Thiazolethione, 3-hydroxy-5-(4-methoxyphenyl)-4-methyl-

Base Information

• Chemical Name: 2(3H)-Thiazolethione, 3-hydroxy-5-(4-methoxyphenyl)-4-methyl-
• CAS No.: 529477-58-5
• Molecular Formula: C11H11NO2S2
• Molecular Weight: 253.346
• DSSTox Substance ID: DTXSID50469946
• Nikkaji Number: J2.161.459I
• Wikidata: Q82297880
• Mol file: 529477-58-5.mol

Synonyms:529477-58-5;2(3H)-Thiazolethione, 3-hydroxy-5-(4-methoxyphenyl)-4-methyl-;DTXSID50469946

Chemical Property of 2(3H)-Thiazolethione, 3-hydroxy-5-(4-methoxyphenyl)-4-methyl-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 253.02312094
• Heavy Atom Count: 16
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=S)N1O)C2=CC=C(C=C2)OC

Technology Process of 2(3H)-Thiazolethione, 3-hydroxy-5-(4-methoxyphenyl)-4-methyl-

There total 1 articles about 2(3H)-Thiazolethione, 3-hydroxy-5-(4-methoxyphenyl)-4-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: 83.0%

1-(ethoxythiocarbonylsulfanyl)-1-(4-methoxyphenyl)-2-propanone oxime (1092775-94-4) → N-(hydroxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione (529477-58-5)

Guidance literature:

With potassium hydroxide; In dichloromethane; water; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.tet.2008.09.006

Reference yield: 100.0%

N-(hydroxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione (529477-58-5) → lithium 5-(4-methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydrothiazol-3-olate (1134298-33-1)

Guidance literature:

With lithium hydroxide monohydrate; In ethanol; at 25 ℃; for 1h;

DOI:10.1016/j.tet.2009.01.067

Reference yield: 87.0%

acetyl chloride (75-36-5) + N-(hydroxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione (529477-58-5) → N-acetyloxy-4-methyl-5-(4-methoxyphenyl)thiazole-2(3H)-thione (1222145-79-0)

Guidance literature:

N-(hydroxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione; With potassium carbonate; In acetone; at 20 ℃; for 0.166667h;

acetyl chloride; In acetone; at 20 ℃;

DOI:10.1055/s-0029-1217102

upstream raw materials:

1-(ethoxythiocarbonylsulfanyl)-1-(4-methoxyphenyl)-2-propanone oxime

Downstream raw materials:

N-(methoxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione

5-(p-methoxyphenyl)-4-methyl-3-(1-phenyl-1-methyleth-1-oxy)-thiazole-2(3H)-thione

N-(6-methyl-3-phenylhept-5-en-1-yloxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione

N-(6-methyl-2-phenylhept-5-en-1-yloxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione