4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

Base Information

• Chemical Name: 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
• CAS No.: 5097-86-9
• Molecular Formula: C8H6ClN3O
• Molecular Weight: 195.608
• Hs Code.: 2933990090
• Mol file: 5097-86-9.mol

Synonyms:4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

Chemical Property of 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

Chemical Property:

• Melting Point: 200 °C
• PKA: 9.05±0.20(Predicted)
• PSA: 50.68000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 1.21400

Purity/Quality:

≥95% ^*data from raw suppliers

4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

There total 6 articles about 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one 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:

p-chlorophenylsemicarbazide (69194-89-4) + formamidine acetic acid (3473-63-0) → 4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (5097-86-9)

Guidance literature:

With acetic acid; In N,N-dimethyl-formamide; at 80 ℃; for 8h;

DOI:10.1016/j.ejmech.2011.03.019

Reference yield:

hydrazinecarboxylic acid methyl ester (6294-89-9) + 4-chloro-aniline (106-47-8) + orthoformic acid triethyl ester (122-51-0) → 4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (5097-86-9)

Guidance literature:

hydrazinecarboxylic acid methyl ester; orthoformic acid triethyl ester; With toluene-4-sulfonic acid; In methanol; at 60 ℃; for 3h; Inert atmosphere;

4-chloro-aniline; With sodium ethanolate; In butan-1-ol; at 100 ℃; for 18h; Inert atmosphere;

Reference yield:

ρ-toluenesulfonic acid + 4-chloro-aniline (106-47-8) → 4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (5097-86-9)

Guidance literature:

With sodium methylate; trimethyl orthoformate; In methanol; water;

upstream raw materials:

4-chloro-aniline

hydrazinecarboxylic acid methyl ester

trimethyl orthoformate

p-chlorophenylsemicarbazide

Downstream raw materials:

4-(4-chlorophenyl)-2-[(1R,2S)-2-(2,4-difluorophenyl)-2,3-epoxy-1-methylpropyl]-3(2H,4H)-1,2,4-triazolone

4-(4-chlorophenyl)-1-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-1H-1,2,4-triazol-5(4H)-one

C₁₁H₁₁BrClN₃O

C₁₅H₂₀ClN₅O

Refernces

• 1、 Jiang, Yongwei,Cao, Yongbin,Zhang, Jun,Zou, Yan,Chai, Xiaoyun,Hu, Honggang,Zhao, Qingjie,Wu, Qiuye,Zhang, Dazhi,Jiang, Yuanying,Sun, Qingyan. "Design, synthesis and antifungal evaluation of 1-(2-(2,4-difluorophenyl)-2- hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-1H-1,2,4-triazol-5(4H)-one". experimental part. p. 3135 - 3141. Retrieved 2011/07/08.
• 2、 -. "Process for preparation of 4-aryl-1,2,4-triazol-3-ones". . . Retrieved 2008/06/13.