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

Base Information

• Chemical Name: 1-Allyl-1H-benzo[d][1,2,3]triazole
• CAS No.: 52298-91-6
• Molecular Formula: C9H9N3
• Molecular Weight: 159.191
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90394445
• Nikkaji Number: J991.420J
• Wikidata: Q72437157
• Mol file: 52298-91-6.mol

Synonyms:1-Allyl-1H-benzo[d][1,2,3]triazole;52298-91-6;1-Allylbenzotriazole;1-prop-2-enylbenzotriazole;1-ALLYLBENZOTRIAZOLE 96;1-Allyl-1H-benzotriazole;SCHEMBL253038;DTXSID90394445;AMY10469;MFCD00760406;AKOS003644535;DS-18499;CS-0157992;FT-0722331;L10058;A871027

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

Chemical Property:

• Refractive Index: n20/D 1.5760(lit.)
• Boiling Point: 296 °C(lit.)
• PKA: 1.35±0.30(Predicted)
• Flash Point: >230 °F
• PSA: 30.71000
• Density: 1.127 g/mL at 25 °C(lit.)
• LogP: 1.61730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 159.079647300
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCN1C2=CC=CC=C2N=N1

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

There total 15 articles about 1-Allyl-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: 93.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + allyl bromide (106-95-6) → N-allylbenzotriazole (52298-91-6)

Guidance literature:

With silica gel; at 20 ℃; for 6h;

DOI:10.1039/b905878h

Reference yield: 89.0%

allyl bromide (106-95-6) + 1-(trimethylsilyl)-1H-benzotriazole (43183-36-4) → N-allylbenzotriazole (52298-91-6)

Guidance literature:

at 100 ℃; for 10h;

DOI:10.1016/S0022-328X(00)82809-0

Reference yield: 88.0%

1-(1H-benzotriazol-1-yl)prop-2-yne (142321-23-1) → N-allylbenzotriazole (52298-91-6)

Guidance literature:

With hydrogen; 3-azapentane-1,5-diamine; In methanol; at 25 ℃; for 6h;

DOI:10.1002/adsc.201100936

upstream raw materials:

1,2,3-Benzotriazole

allyl bromide

N-allyl-1,2-phenylenediamine

1-(trimethylsilyl)-1H-benzotriazole

Downstream raw materials:

2-Benzotriazol-1-yl-1,1-diphenyl-but-3-en-1-ol

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

1-(1-Benzotriazol-1-yl-allyl)-cyclohexanol

1-(1-Benzyl-allyl)-1H-benzotriazole