2-(1H-1,2,3-triazol-1-yl)acetonitrile

Base Information

• Chemical Name: 2-(1H-1,2,3-triazol-1-yl)acetonitrile
• CAS No.: 4368-69-8
• Molecular Formula: C4H4N4
• Molecular Weight: 108.10100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID701301389
• Mol file: 4368-69-8.mol

Synonyms:2-(1H-1,2,3-triazol-1-yl)acetonitrile;4368-69-8;2-(triazol-1-yl)acetonitrile;SCHEMBL1908087;DTXSID701301389;AMY38289;1H-1,2,3-Triazole-1-acetonitrile;DB-216255;2-(1,2,3-TRIAZOL-1-YL)ACETONITRILE;D87764;EN300-259526

Chemical Property of 2-(1H-1,2,3-triazol-1-yl)acetonitrile

Chemical Property:

• PSA: 54.50000
• LogP: -0.19832
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 108.043596145
• Heavy Atom Count: 8
• Complexity: 113

Purity/Quality:

95% ^*data from raw suppliers

2-(1H-1,2,3-Triazol-1-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(N=N1)CC#N

Technology Process of 2-(1H-1,2,3-triazol-1-yl)acetonitrile

There total 2 articles about 2-(1H-1,2,3-triazol-1-yl)acetonitrile 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: 52.0%

1,2,3-triazole (288-36-8) + cyanomethyl bromide (590-17-0) → 2-(1H-1,2,3-triazol-1-yl)acetonitrile (4368-69-8)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 2h;

Reference yield:

→ 2-(1H-1,2,3-triazol-1-yl)acetonitrile (4368-69-8)

Guidance literature:

Azidoacetonitril, Acetylen, Acn. (14 at C2H2, 100grad);

Reference yield: 55.0%

2-(1H-1,2,3-triazol-1-yl)acetonitrile (4368-69-8) → 2-(1H-1,2,3-triazol-1-yl)ethanamine (4320-94-9)

Guidance literature:

With hydrogen; nickel; In tetrahydrofuran; ammonia; at 90 ℃; under 90009 Torr;

upstream raw materials:

1,2,3-triazole

cyanomethyl bromide

Downstream raw materials:

2-(1H-1,2,3-triazol-1-yl)ethanamine

Refernces

• 1、 -. "Novel pentafluorosulfanyl compounds". Page/Page column 21. . Retrieved 2010/02/13.