1-Phenyl-1H-benzotriazole

Base Information

• Chemical Name: 1-Phenyl-1H-benzotriazole
• CAS No.: 883-39-6
• Molecular Formula: C12H9N3
• Molecular Weight: 195.224
• Hs Code.: 2933990090
• Mol file: 883-39-6.mol

Synonyms:1H-Benzotriazole,1-phenyl;1-phenyl-1H-1,2,3-benzotriazole;1-Phenyl-1,2,3-benzotriazole;1-Phenyl-1H-benzotriazole;

Chemical Property of 1-Phenyl-1H-benzotriazole

Chemical Property:

• Vapor Pressure: 2.4E-05mmHg at 25°C
• Melting Point: 108-109 °C
• Boiling Point: 359.3°Cat760mmHg
• PKA: 0.82±0.30(Predicted)
• Flash Point: 171.1°C
• PSA: 30.71000
• Density: 1.21g/cm³
• LogP: 2.42050
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

≥99% ^*data from raw suppliers

1-Phenyl-1H-benzo[d][1,2,3]triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Phenyl-1H-benzo[d][1,2,3]triazole is a reagent used in the prepartion of possible surrogates for kobayashi’s aryne precursors.

Technology Process of 1-Phenyl-1H-benzotriazole

There total 53 articles about 1-Phenyl-1H-benzotriazole 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: 98.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + iodobenzene (591-50-4) → 1-phenyl-1H-benzotriazole (883-39-6)

Guidance literature:

With Cu(II) phenylcyclopropyl carboxylate; cetyltrimethylammonim bromide; potassium carbonate; (1,2-bis(diphenylphosphanyl)ethane)dichloridopalladium(II); In N,N-dimethyl-formamide; at 150 ℃; for 6h;

DOI:10.1016/S0040-4039(98)01062-4

Reference yield: 96.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + diphenyliodonium tetrafluoroborate → 1-phenyl-1H-benzotriazole (883-39-6)

Guidance literature:

With sodium hydroxide; Cu(II) phenylcyclopropyl carboxylate; palladium diacetate; (tppts)2; In water; at 100 ℃; for 6h;

DOI:10.1016/S0040-4039(98)01063-6

Reference yield: 95.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + bromobenzene (108-86-1,52753-63-6) → 1-phenyl-1H-benzotriazole (883-39-6)

Guidance literature:

With copper(l) iodide; C₇₀H₈₆N₄O₄⁽²⁺⁾*C₅H₈NO₂^(1-)*C₅H₈NO₂^(1-); potassium carbonate; In water; at 20 - 140 ℃; for 0.666667h; Inert atmosphere; Microwave irradiation;

DOI:10.1002/cjoc.201200623

upstream raw materials:

N-phenyl-1,2-benzenediamine

1,2,3-Benzotriazole

iodobenzene

2-(trimethylsilyl)phenyl trifluoromethanesulfonate

Downstream raw materials:

9H-carbazole

diphenylamine

N-1-phenyl-benzotriazole-N-3-borane

1-(2-iodophenyl)-1H-benzo[d][1,2,3]triazole

Refernces

• 1、 Ding, Zhiqiang,Nie, Nan,Chen, Tian,Meng, Lingxin,Wang, Gongshu,Chen, Zhangpei,Hu, Jianshe. "L-Proline N-oxide dihydrazides as an efficient ligand for cross-coupling reactions of aryl iodides and bromides with amines and phenols". supporting information. . Retrieved 2020/12/21.
• 2、 Zhang, Wenying,Wang, Yangyang,Jia, Xiangru,Du, Zhengyin,Fu, Ying. "Cu-catalyzed arylation of 1-acyl-1H-1,2,3-Benzotriazoles via C–N activation". . p. 64 - 67. Retrieved 2019/06/10.