1-(Benzotriazol-1-ylmethyl)benzotriazole

Base Information

• Chemical Name: 1-(Benzotriazol-1-ylmethyl)benzotriazole
• CAS No.: 88064-00-0
• Molecular Formula: C13H10 N6
• Molecular Weight: 250.263
• NSC Number: 130836
• DSSTox Substance ID: DTXSID00299452
• Nikkaji Number: J1.894.247J
• Wikidata: Q82041876
• ChEMBL ID: CHEMBL2141109

Synonyms:88064-00-0;1,1'-methylenebis(1h-benzotriazole);1-(benzotriazol-1-ylmethyl)benzotriazole;1H-Benzotriazole,1,1'-methylenebis-;NSC130836;MLS002920061;1-[(1H-1,2,3-benzotriazol-1-yl)methyl]-1H-1,2,3-benzotriazole;SCHEMBL1774497;CHEMBL2141109;DTXSID00299452;AKOS024365946;NSC-130836;SMR001797659;di(1h-benzo[d][1,2,3]triazol-1-yl)methane;Bis(1H-benzo[d][1,2,3]triazol-1-yl)methane;1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1H-1,2,3-benzotriazole

Chemical Property of 1-(Benzotriazol-1-ylmethyl)benzotriazole

Chemical Property:

• Boiling Point: 514.8°Cat760mmHg
• Flash Point: 265.2°C
• Density: 1.48g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.09669434
• Heavy Atom Count: 19
• Complexity: 294

Purity/Quality:

≥99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2CN3C4=CC=CC=C4N=N3

Technology Process of 1-(Benzotriazol-1-ylmethyl)benzotriazole

There total 5 articles about 1-(Benzotriazol-1-ylmethyl)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: 40.0%

1-(chloromethyl)-1H-benzotriazole (54187-96-1) + sodium methylate (124-41-4) → 1-[(1H-benzotriazol-1-yl)methyl]-1H-benzotriazole (88064-00-0) + 1-(methoxymethyl)-1H-benzotriazole (71878-80-3)

Guidance literature:

In methanol; for 1h; Heating;

DOI:10.1021/jo00287a011

Reference yield: 38.0%

N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide (127236-78-6) → 1-methyl-1H-benzo[d][1,2,3]triazole (13351-73-0) + 1-[(1H-benzotriazol-1-yl)methyl]-1H-benzotriazole (88064-00-0)

Guidance literature:

In diphenylether; at 200 ℃; for 2h;

Reference yield: 28.0%

N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide (127236-78-6) + N,N-diethylaniline (91-66-7) → 1-methyl-1H-benzo[d][1,2,3]triazole (13351-73-0) + 1-ethylbenzotriazole (16584-05-7) + 1-[(1H-benzotriazol-1-yl)methyl]-1H-benzotriazole (88064-00-0)

Guidance literature:

at 200 ℃; for 4h;

upstream raw materials:

1-(chloromethyl)-1H-benzotriazole

sodium methylate

benzyl chloride

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

Downstream raw materials:

2,2-Bis-benzotriazol-1-yl-1-p-tolyl-ethanone

2,2-Bis-benzotriazol-1-yl-1-p-tolyl-ethanol

C₂₀H₁₆N₆

2,2-di(1H-1,2,3-benzotriazol-1-yl)-1,1-diphenyl-1-ethanol

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