2(3H)-Thiazolimine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-

Base Information

• Chemical Name: 2(3H)-Thiazolimine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-
• CAS No.: 137402-43-8
• Molecular Formula: C11H9F3N2S
• Molecular Weight: 258.267
• DSSTox Substance ID: DTXSID50452252
• Wikidata: Q82272757
• ChEMBL ID: CHEMBL2270010

Synonyms:2(3H)-Thiazolimine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-;137402-43-8;SCHEMBL8428297;CHEMBL2270010;DTXSID50452252;2-imino-3-(3-trifluoromethylphenyl)-5-methylthiazoline;2-imino-3- (3-trifluoromethylphenyl) -5-methylthiazoline;2-imino-3-(3-(trifluoromethyl)phenyl)-5-methyl-4-thiazoline

Chemical Property of 2(3H)-Thiazolimine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.04385396
• Heavy Atom Count: 17
• Complexity: 351

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=N)S1)C2=CC=CC(=C2)C(F)(F)F

Technology Process of 2(3H)-Thiazolimine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-

There total 5 articles about 2(3H)-Thiazolimine, 5-methyl-3-[3-(trifluoromethyl)phenyl]- 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: 81.0%

N-(3-(trifluoromethyl)phenyl)-N-(2-chloro-2-propenyl)thiourea (156835-90-4) → 2-imino-3-(3-(trifluoromethyl)phenyl)-5-methyl-4-thiazoline (137402-43-8)

Guidance literature:

With sulfuric acid; sodium carbonate; In ice-water;

Reference yield: 75.0%

stannic chloride n-hydrate + N-(3-(trifluoromethyl)phenyl)-N-(2-chloro-2-propenyl)thiourea (156835-90-4) + 4-methyl-2-pentanone (108-10-1) → 2-imino-3-(3-(trifluoromethyl)phenyl)-5-methyl-4-thiazoline (137402-43-8)

Guidance literature:

With hydrogenchloride; sodium bicarbonate; In water;

Reference yield:

2-(acetylimino)-3-(3-trifluoromethylphenyl)-5-methylthiazoline (137402-42-7) → 2-imino-3-(3-(trifluoromethyl)phenyl)-5-methyl-4-thiazoline (137402-43-8)

Guidance literature:

With hydrogenchloride; In water ethanol;

upstream raw materials:

2-(acetylimino)-3-(3-trifluoromethylphenyl)-5-methylthiazoline

N-(3-(trifluoromethyl)phenyl)-N-(2-chloro-2-propenyl)thiourea

4-methyl-2-pentanone

Downstream raw materials:

2-[(difluoroacetyl)imino]-3-[(3-trifluoromethyl)phenyl]-5-methylthiazoline

2-(2,3,3,3-tetrafluoropropanoylimino)-3-(3-trifluoromethylphenyl)-5-methylthiazoline

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