1-Benzylideneamino-1,2,3-benzotriazole

Base Information

• Chemical Name: 1-Benzylideneamino-1,2,3-benzotriazole
• CAS No.: 23589-43-7
• Molecular Formula: C13H10 N4
• Molecular Weight: 222.2453
• Hs Code.: 2933990090
• Mol file: 23589-43-7.mol

Synonyms:1-Benzylideneamino-1,2,3-benzotriazole;1H-Benzotriazole, 1-(benzylideneamino)-;23589-43-7;KSFYLQMDWMTUSD-GXDHUFHOSA-N;N-[Phenylmethylidene]-1H-1,2,3-benzotriazol-1-amine;N-[(E)-Phenylmethylidene]-1H-1,2,3-benzotriazol-1-amine

Chemical Property of 1-Benzylideneamino-1,2,3-benzotriazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 106-107 °C
• Boiling Point: 402.4°Cat760mmHg
• PKA: 1.63±0.30(Predicted)
• Flash Point: 197.2°C
• PSA: 43.07000
• Density: 1.22g/cm³
• LogP: 2.31350
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.090546336
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NN2C3=CC=CC=C3N=N2
• Isomeric SMILES: C1=CC=C(C=C1)/C=N/N2C3=CC=CC=C3N=N2

Technology Process of 1-Benzylideneamino-1,2,3-benzotriazole

There total 1 articles about 1-Benzylideneamino-1,2,3-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:

benzaldehyde (100-52-7) + 1H-1,2,3-benzotriazol-1-amine (1614-12-6) → 1-benzylideneaminobenzotriazole (23589-43-7)

Guidance literature:

With acetic acid; for 1h; Heating;

DOI:10.1007/s10593-005-0152-1

Reference yield: 51.0%

1-benzylideneaminobenzotriazole (23589-43-7) → N-benzyl-1-aminobenzotriazole (105026-59-3)

Guidance literature:

With sodium tetrahydroborate; In isopropyl alcohol; at 20 ℃; for 24h;

DOI:10.1007/s10593-005-0152-1

Reference yield:

1-benzylideneaminobenzotriazole (23589-43-7) → 2-(N-benzyl-N-nitrosoamino)benzotriazole

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / NaBH₄ / propan-2-ol / 24 h / 20 °C

2: 80 percent / aq. NaNO₂; HCl / 1 h / 0 - 5 °C

With hydrogenchloride; sodium tetrahydroborate; sodium nitrite; In isopropyl alcohol;

DOI:10.1007/s10593-005-0152-1

upstream raw materials:

benzaldehyde

1H-1,2,3-benzotriazol-1-amine

Downstream raw materials:

N-benzyl-1-aminobenzotriazole

Refernces