4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole

Base Information

• Chemical Name: 4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
• CAS No.: 82100-78-5
• Molecular Formula: C14H12ClN3S
• Molecular Weight: 289.788
• DSSTox Substance ID: DTXSID10363512
• Wikidata: Q82147236
• ChEMBL ID: CHEMBL1382609

Synonyms:4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole;82100-78-5;4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole;MLS000541034;CHEMBL1382609;DTXSID10363512;HMS2312C23;STL442695;AKOS005079235;SMR000126092;AF-407/08339009;11R-0071

Chemical Property of 4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 289.0440463
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NN1C2=NC(=CS2)C3=CC=C(C=C3)Cl)C

Technology Process of 4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole

There total 9 articles about 4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole 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: 98.0%

3,5-dimethyl-1H-pyrazole-1-carbothioamide (1124-15-8) + 4-chlorobenzoylmethyl bromide (536-38-9) → 2-(3',5'-dimethyl-pyrazol-1'yl)-4-(p-chlorophenyl)thiazole (82100-78-5)

Guidance literature:

With sodium carbonate; In neat (no solvent, solid phase); at 20 ℃; for 0.0833333h; Green chemistry;

DOI:10.1080/17415993.2012.711331

Reference yield: 96.0%

3,5-dimethyl-1H-pyrazole-1-carbothioamide (1124-15-8) + 2-iodo-4'-chloroacetophenone (53896-48-3) → 2-(3',5'-dimethyl-pyrazol-1'yl)-4-(p-chlorophenyl)thiazole (82100-78-5)

Guidance literature:

With sodium carbonate; In neat (no solvent, solid phase); at 20 ℃; for 0.0833333h; Green chemistry;

DOI:10.1080/17415993.2012.711331

Reference yield: 88.0%

thiosemicarbazide (79-19-6) + 4-chlorobenzoylmethyl bromide (536-38-9) + acetylacetone (123-54-6,81235-32-7) → 2-(3',5'-dimethyl-pyrazol-1'yl)-4-(p-chlorophenyl)thiazole (82100-78-5)

Guidance literature:

With hydrogenchloride; In ethanol; Reflux;

DOI:10.3184/030823408X314707

upstream raw materials:

3,5-dimethyl-1H-pyrazole-1-carbothioamide

4-chlorobenzoylmethyl bromide

[4-(4-Chloro-phenyl)-thiazol-2-yl]-hydrazine

acetylacetone

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