4-(5-(3-(TRIFLUOROMETHYL)PHENYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)PHENOL

Base Information

• Chemical Name: 4-(5-(3-(TRIFLUOROMETHYL)PHENYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)PHENOL
• CAS No.: 877874-79-8
• Molecular Formula: C15H11F3N4O
• Molecular Weight: 320.274
• Hs Code.: 2933990090
• Mol file: 877874-79-8.mol

Synonyms:4-(5-(3-(Trifluoromethyl)phenylamino)-4H-1,2,4-triazol-3-yl)phenol;4-(5-(3-(TRIFLUOROMETHYL)PHENYLAMINO)-1,2,4-TRIAZOL-3-YL)PHENOL;

Chemical Property of 4-(5-(3-(TRIFLUOROMETHYL)PHENYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)PHENOL

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• PSA: 73.83000
• LogP: 4.01270
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

4-(5-(3-(Trifluoromethyl)phenylamino)-4H-1,2,4-triazol-3-yl)phenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(5-(3-(TRIFLUOROMETHYL)PHENYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)PHENOL

There total 4 articles about 4-(5-(3-(TRIFLUOROMETHYL)PHENYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)PHENOL 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: 58.84%

S-methyl-3-(trifluoromethyl)phenylisothiourea hydroiodide (65069-76-3) + 4-hydroxybenzoic acid hydrazide (5351-23-5) → 4-[5-(3-trifluoromethyl-phenylamino)-4H-[1,2,4]triazol-3-yl]-phenol (877874-79-8)

Guidance literature:

With 2,6-dimethylpyridine; In acetonitrile; at 20 - 80 ℃; Inert atmosphere;

Reference yield:

3-trifluoromethylaniline (98-16-8) → 4-[5-(3-trifluoromethyl-phenylamino)-4H-[1,2,4]triazol-3-yl]-phenol (877874-79-8)

Guidance literature:

Multi-step reaction with 4 steps

1: dichloromethane / 5 - 20 °C

2: ammonium hydroxide / methanol / 5 - 20 °C

3: methanol / 50 °C

4: 2,6-dimethylpyridine / acetonitrile / 20 - 80 °C / Inert atmosphere

With 2,6-dimethylpyridine; ammonium hydroxide; In methanol; dichloromethane; acetonitrile;

Reference yield:

1-isothiocyanato-3-trifluoromethyl-benzene (1840-19-3) → 4-[5-(3-trifluoromethyl-phenylamino)-4H-[1,2,4]triazol-3-yl]-phenol (877874-79-8)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium hydroxide / methanol / 5 - 20 °C

2: methanol / 50 °C

3: 2,6-dimethylpyridine / acetonitrile / 20 - 80 °C / Inert atmosphere

With 2,6-dimethylpyridine; ammonium hydroxide; In methanol; acetonitrile;

upstream raw materials:

S-methyl-3-(trifluoromethyl)phenylisothiourea hydroiodide

4-hydroxybenzoic acid hydrazide

3-trifluoromethylaniline

1-isothiocyanato-3-trifluoromethyl-benzene

Downstream raw materials:

C₁₉H₁₄F₃N₇O

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