1-Butyl-1H-benzo[d][1,2,3]triazole

Base Information

• Chemical Name: 1-Butyl-1H-benzo[d][1,2,3]triazole
• CAS No.: 708-43-0
• Molecular Formula: C₁₀H₁₃N₃
• Molecular Weight: 175.233
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90402877
• Nikkaji Number: J1.603.416I
• Wikidata: Q72514049
• ChEMBL ID: CHEMBL425230
• Mol file: 708-43-0.mol

Synonyms:1-Butyl-1H-benzo[d][1,2,3]triazole;708-43-0;1-butylbenzotriazole;1-n-Butylbenzotriazole;1-Butyl benzotriazole;1-butyl-1H-benzotriazole;CHEMBL425230;1-butyl-1H-1,2,3-benzotriazole;BUTYL BENZOTRIAZOLE;SCHEMBL1834794;DTXSID90402877;AMY10471;BDBM50234604;MFCD01249642;AKOS003644565;AS-57777;CS-0061500;FT-0694342;W17523

Chemical Property of 1-Butyl-1H-benzo[d][1,2,3]triazole

Chemical Property:

• Boiling Point: 306.4 °C at 760 mmHg
• PKA: 1.44±0.30(Predicted)
• Flash Point: 139.1 °C
• PSA: 30.71000
• Density: 1.12 g/cm³
• LogP: 2.23140
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 175.110947427
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

1-Butyl-1H-benzo[d][1,2,3]triazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C2=CC=CC=C2N=N1

Technology Process of 1-Butyl-1H-benzo[d][1,2,3]triazole

There total 3 articles about 1-Butyl-1H-benzo[d][1,2,3]triazole 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: 38.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + tetrabutyl ammonium fluoride (429-41-4) + 4-chlorobenzonitrile (100-00-5) → 1-butyl-1H-benzotriazole (708-43-0) + 1-(4-nitrophenyl)-1H-benzo[d][1,2,3]triazole (4490-51-1) + 2-(4-nitrophenyl)-2H-benzo[d][1,2,3]triazole (51776-70-6)

Guidance literature:

With copper(ll) bromide; at 145 ℃; for 15h;

DOI:10.1021/jo900752z

Reference yield: 38.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + iodobenzene (591-50-4) + tetrabutyl ammonium fluoride (429-41-4) → 2-butyl-2H-benzotriazole (16584-01-3) + 1-butyl-1H-benzotriazole (708-43-0) + 1-phenyl-1H-benzotriazole (883-39-6)

Guidance literature:

With copper(I) oxide; 1,10-Phenanthroline; tetrabutyl ammonium fluoride; at 140 - 145 ℃; for 48h;

DOI:10.1055/s-2008-1067014

Reference yield: 35.0%

p-nitrobenzene iodide (636-98-6) + 1,2,3-Benzotriazole (95-14-7,27556-51-0) + tetrabutyl ammonium fluoride (429-41-4) → 1-butyl-1H-benzotriazole (708-43-0) + 1-(4-nitrophenyl)-1H-benzo[d][1,2,3]triazole (4490-51-1) + 2-(4-nitrophenyl)-2H-benzo[d][1,2,3]triazole (51776-70-6)

Guidance literature:

With copper(ll) bromide; at 145 ℃; for 10h;

DOI:10.1021/jo900752z

upstream raw materials:

1,2,3-Benzotriazole

iodobenzene

tetrabutyl ammonium fluoride

p-nitrobenzene iodide

Refernces

• 1、 Tang, Bo-Xiao,Guo, Sheng-Mei,Zhang, Man-Bo,Li, Jin-Heng. "N-arylations of nitrogen-containing heterocycles with aryl and heteroaryl halides using a copper(I) oxide nanoparticle/1,10-phenanthroline catalytic system". . p. 1707 - 1716. Retrieved 2008/12/22.