N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

Base Information

• Chemical Name: N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
• CAS No.: 13578-56-8
• Molecular Formula: C₁₀H₉F₃N₂S
• Molecular Weight: 246.256
• NSC Number: 201542
• DSSTox Substance ID: DTXSID60308034
• Nikkaji Number: J597.772J
• Wikidata: Q82055689
• ChEMBL ID: CHEMBL2141700
• Mol file: 13578-56-8.mol

Synonyms:MLS003107098;13578-56-8;NSC201542;N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine;CHEMBL2141700;DTXSID60308034;AKOS008946624;NSC-201542;SMR001821978

Chemical Property of N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

Chemical Property:

• Vapor Pressure: 0.00125mmHg at 25°C
• Boiling Point: 298.6°C at 760 mmHg
• Flash Point: 134.4°C
• Density: 1.41g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 246.04385396
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=N1)NC2=CC=CC(=C2)C(F)(F)F

Technology Process of N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

There total 3 articles about N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-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:

1-(2-hydroxy-ethyl)-3-(3-trifluoromethyl-phenyl)-thiourea (13578-61-5) → (4,5-dihydro-thiazol-2-yl)-(3-trifluoromethyl-phenyl)-amine (13578-56-8)

Guidance literature:

With hydrogenchloride; In water; for 12h; Heating;

Reference yield:

phosphoric acid mono-{2-[3-(3-trifluoromethyl-phenyl)-thioureido]-ethyl} ester; disodium salt (2827-15-8) → (4,5-dihydro-thiazol-2-yl)-(3-trifluoromethyl-phenyl)-amine (13578-56-8)

Guidance literature:

With ion-exchange resin + form>; In water; Ambient temperature;

Reference yield:

1-isothiocyanato-3-trifluoromethyl-benzene (1840-19-3) → (4,5-dihydro-thiazol-2-yl)-(3-trifluoromethyl-phenyl)-amine (13578-56-8)

Guidance literature:

Multi-step reaction with 2 steps

2: HCl / H₂O / 12 h / Heating

With hydrogenchloride; In water;

upstream raw materials:

1-(2-hydroxy-ethyl)-3-(3-trifluoromethyl-phenyl)-thiourea

phosphoric acid mono-{2-[3-(3-trifluoromethyl-phenyl)-thioureido]-ethyl} ester; disodium salt

1-isothiocyanato-3-trifluoromethyl-benzene