2-(2H-Benzo[D][1,2,3]triazol-2-YL)ethanamine

Base Information

• Chemical Name: 2-(2H-Benzo[D][1,2,3]triazol-2-YL)ethanamine
• CAS No.: 69980-83-2
• Molecular Formula: C8H10N4
• Molecular Weight: 162.1918
• DSSTox Substance ID: DTXSID80440647
• Wikidata: Q82257010
• Mol file: 69980-83-2.mol

Synonyms:2-(2H-BENZO[D][1,2,3]TRIAZOL-2-YL)ETHANAMINE;69980-83-2;2-(benzotriazol-2-yl)ethanamine;2-(2-benzotriazolyl)ethylamine;SCHEMBL6960374;DTXSID80440647;INACWHUYXXAULT-UHFFFAOYSA-N;MFCD09027577;AKOS006289316;AB49201;2-(2H-Benzotriazol-2-yl)ethan-1-amine;BS-50191;CS-0155634;A836721;2-(2H-1,2,3-BENZOTRIAZOL-2-YL)ETHAN-1-AMINE

Chemical Property of 2-(2H-Benzo[D][1,2,3]triazol-2-YL)ethanamine

Chemical Property:

• Boiling Point: 320.0±44.0 °C(Predicted)
• PKA: 7.70±0.10(Predicted)
• PSA: 56.73000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 1.09030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 162.090546336
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

2-Benzotriazol-2-yl-ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NN(N=C2C=C1)CCN

Technology Process of 2-(2H-Benzo[D][1,2,3]triazol-2-YL)ethanamine

There total 5 articles about 2-(2H-Benzo[D][1,2,3]triazol-2-YL)ethanamine 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: 9.2%

2-(N-phthalimidoethyl)-1,2,3-benzotriazole (74731-95-6) → 2-(2-aminoethyl)-1,2,3-benzotriazole (69980-83-2)

Guidance literature:

With sodium hydroxide; for 10h; Heating;

Reference yield:

2H-benzo[d][1,2,3]triazole (273-02-9) → 2-(2-aminoethyl)-1,2,3-benzotriazole (69980-83-2)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / dimethylformamide / 40 °C

2: lithium borohydride / diethyl ether

3: 1.) pyridine, triflic anhydride, 2.) NH₄Cl / 1.) diethyl ether, from -50 deg C to -30 deg C, 2.) diethyl ether, from -30 deg C to RT

With pyridine; lithium borohydride; trifluoromethylsulfonic anhydride; potassium carbonate; ammonium chloride; In diethyl ether; N,N-dimethyl-formamide;

DOI:10.1021/jm950639r

Reference yield:

ethyl 2-(2H-benzo[d][1,2,3]triazol-2-yl)acetate (69218-51-5) → 2-(2-aminoethyl)-1,2,3-benzotriazole (69980-83-2)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium borohydride / diethyl ether

2: 1.) pyridine, triflic anhydride, 2.) NH₄Cl / 1.) diethyl ether, from -50 deg C to -30 deg C, 2.) diethyl ether, from -30 deg C to RT

With pyridine; lithium borohydride; trifluoromethylsulfonic anhydride; ammonium chloride; In diethyl ether;

DOI:10.1021/jm950639r

upstream raw materials:

2-(N-phthalimidoethyl)-1,2,3-benzotriazole

2-(2-hydroxyethyl)-benzotriazole

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

ethyl 2-(2H-benzo[d][1,2,3]triazol-2-yl)acetate

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