{4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine

Base Information

• Chemical Name: {4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine
• CAS No.: 690632-25-8
• Molecular Formula: C12H11F3N2S
• Molecular Weight: 272.294
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID60382415
• Wikidata: Q82173769
• Mol file: 690632-25-8.mol

Synonyms:690632-25-8;{4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine;(4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanamine;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine;(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)METHANAMINE;1-{4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine;{4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}METHYLAMINE;SCHEMBL3822273;DTXSID60382415;DUJZUDMEISQWHO-UHFFFAOYSA-N;MFCD03791219;AKOS005070408;CS-0331346;FT-0680403;4W-0258;A866919;J-501434

Chemical Property of {4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine

Chemical Property:

• Vapor Pressure: 1.5E-05mmHg at 25°C
• Melting Point: 71 °C
• Refractive Index: 1.545
• Boiling Point: 366°C at 760 mmHg
• Flash Point: 175.2°C
• PSA: 67.15000
• Density: 1.314g/cm³
• LogP: 4.29630
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 272.05950402
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

{4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)CN

Technology Process of {4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine

There total 5 articles about {4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine 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:

4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester (175277-03-9) → ({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amine (690632-25-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 80.2 g / LiAlH₄ / tetrahydrofuran / 1.3 h / 20 °C

2: 97 percent / PBr₃ / CH₂Cl₂ / 2 h / 20 °C

3: 91 percent / dimethylformamide / 18 h / 70 °C

4: hydrazine hydrate / ethanol / 18 h / 90 °C

With lithium aluminium tetrahydride; phosphorus tribromide; hydrazine hydrate; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm058056x

Reference yield:

2-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)-1H-isoindole-1,3(2H)-dione (929693-86-7) → ({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amine (690632-25-8)

Guidance literature:

With hydrazine hydrate; In ethanol; at 90 ℃; for 18h;

DOI:10.1021/jm058056x

Reference yield:

5-(bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (439134-78-8) → ({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amine (690632-25-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / dimethylformamide / 18 h / 70 °C

2: hydrazine hydrate / ethanol / 18 h / 90 °C

With hydrazine hydrate; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm058056x

upstream raw materials:

2-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)-1H-isoindole-1,3(2H)-dione

5-(bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-trifluoromethylbenzthioamide

[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-methanol

Downstream raw materials:

ethyl 2-methyl-2-[(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amino]carbonyl}phenyl)oxy]propanoate

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