4-(4H-1,2,4-Triazol-4-yl)phenol

Base Information

• Chemical Name: 4-(4H-1,2,4-Triazol-4-yl)phenol
• CAS No.: 98581-86-3
• Molecular Formula: C8H7N3O
• Molecular Weight: 161.163
• Hs Code.: 2933990090
• Mol file: 98581-86-3.mol

Synonyms:4-(4-Hydroxyphenyl)-1,2,4-triazole;

Chemical Property of 4-(4H-1,2,4-Triazol-4-yl)phenol

Chemical Property:

• Melting Point: 285-286 ºC
• Refractive Index: 1.491
• Boiling Point: 371.4 °C at 760 mmHg
• PKA: 9.18±0.26(Predicted)
• Flash Point: 178.4 °C
• PSA: 50.94000
• Density: 1.32g/cm³
• LogP: 0.97290
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

4-(4H-1,2,4-Triazol-4-yl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4H-1,2,4-Triazol-4-yl)phenol

There total 4 articles about 4-(4H-1,2,4-Triazol-4-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: 73.0%

4-amino-phenol (123-30-8) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + formic acid hydrazide (624-84-0) → 4-(4-hydroxyphenyl)-1,2,4-triazole (98581-86-3)

Guidance literature:

N,N-dimethyl-formamide dimethyl acetal; formic acid hydrazide; In acetonitrile; at 60 ℃; for 0.5h;

4-amino-phenol; In acetonitrile; for 9h; Heating;

DOI:10.1080/14756366.2020.1774573

Reference yield: 64.0%

diformylhydrazine (628-36-4) + 4-amino-phenol (123-30-8) → 4-(4-hydroxyphenyl)-1,2,4-triazole (98581-86-3)

Guidance literature:

With hydroquinone; at 165 - 170 ℃; for 0.5h;

DOI:10.1134/S1070363206010312

Reference yield:

4-amino-phenol (123-30-8) + formic acid hydrazide (624-84-0) → 4-(4-hydroxyphenyl)-1,2,4-triazole (98581-86-3)

Guidance literature:

formic acid hydrazide; With N,N-dimethyl-formamide dimethyl acetal; In acetonitrile; for 1h; Reflux;

4-amino-phenol; With acetic acid; In acetonitrile; at 120 ℃;

DOI:10.1016/j.ejmech.2020.112672

upstream raw materials:

diformylhydrazine

4-amino-phenol

N,N-dimethyl-formamide dimethyl acetal

formic acid hydrazide

Refernces

• 1、 Elokhina,Nakhmanovich,Yaroshenko,Stepanova,Larina. "Synthesis of 4-(hydroxyphenyl)-1,2,4-triazoles". . p. 158 - 160. Retrieved 2006.
• 2、 Lei, Kang,Li, Guangyong,Li, Jun,Liu, Hui,Liu, Renmin,Quan, Zheshan,Wang, Shiben,Wang, Xuekun. "Synthesis of 1,3,4-oxadiazole derivatives with anticonvulsant activity and their binding to the GABAA receptor". . . Retrieved 2020/08/19.