4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-amine

Base Information

• Chemical Name: 4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-amine
• CAS No.: 105512-79-6
• Molecular Formula: C10H7F3N2S
• Molecular Weight: 244.24
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20372231
• Wikidata: Q82159819
• ChEMBL ID: CHEMBL3410182
• Mol file: 105512-79-6.mol

Synonyms:105512-79-6;4-(4-Trifluoromethylphenyl)thiazol-2-ylamine;4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOL-2-AMINE;2-amino-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole;2-amino-4-(4-(trifluoromethyl)phenyl)-1,3-thiazole;2-Thiazolamine, 4-[4-(trifluoromethyl)phenyl]-;thiazol-2-amine, 5;2-amino-4-[4-(trifluoromethyl)phenyl]thiazole;SCHEMBL474291;CHEMBL3410182;BDBM31175;DTXSID20372231;MFCD03094298;AKOS000192473;AB13312;MS-11187;CS-0165853;4-(4-trifluoromethyl-phenyl)-thiazol-2-ylamine;EN300-1929041;4-(4-trifluoromethyl-phenyl)-thiazol-2-ylamine, AldrichCPR

Chemical Property of 4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-amine

Chemical Property:

• Melting Point: 206-208°C
• Boiling Point: 344.6±37.0 °C(Predicted)
• PKA: 3.62±0.10(Predicted)
• PSA: 67.15000
• Density: 1.410±0.06 g/cm3(Predicted)
• LogP: 3.99230
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 244.02820389
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Trifluoromethylphenyl)thiazol-2-ylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)C(F)(F)F

Technology Process of 4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-amine

There total 7 articles about 4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-amine 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: 100.0%

2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone (383-53-9) + thiourea (17356-08-0) → 4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (105512-79-6)

Guidance literature:

In acetone; at 20 ℃; for 4h; Heating / reflux;

Reference yield: 97.0%

→ 4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (105512-79-6)

Guidance literature:

In ethanol; for 2h; Reflux; Inert atmosphere;

Reference yield: 90.0%

1-(1-azidovinyl)-4-(trifluoromethyl)benzene + ammonium thiocyanate (1147550-11-5) → 4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (105512-79-6)

Guidance literature:

With copper diacetate; In acetonitrile; at 20 ℃; for 20h; Irradiation; Inert atmosphere;

DOI:10.1021/acscatal.7b02818

upstream raw materials:

2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone

thiourea

1-(4-trifluoromethylphenyl)ethanone

ammonium thiocyanate

Downstream raw materials:

dimethyl 2-{[4-(4-trifluoromethylphenyl)thiazol-2-ylamino]methylene}malonate

4-(4-trifluorophenyl)thiazole

2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-(4-(trifluoromethyl) phenyl) thiazol-2-yl)acetamide

4-oxo-4-((4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)amino)butanoic acid