2-(benzo[c][1,2,5]thiadiazol-5-yl)acetonitrile

Base Information

• Chemical Name: 2-(benzo[c][1,2,5]thiadiazol-5-yl)acetonitrile
• CAS No.: 89899-11-6
• Molecular Formula: C₈H₅N₃S
• Molecular Weight: 175.214
• Mol file: 89899-11-6.mol

Synonyms:5-Cyanmethyl-benz(2,1,3)-thiadiazol;benzo[1,2,5]thiadiazol-5-yl-acetonitrile;

Chemical Property of 2-(benzo[c][1,2,5]thiadiazol-5-yl)acetonitrile

Chemical Property:

• Melting Point: 158 - 159 °C (H2O)
• PSA: 77.81000
• LogP: 1.75738

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-(benzo[c][1,2,5]thiadiazol-5-yl)acetonitrile

There total 4 articles about 2-(benzo[c][1,2,5]thiadiazol-5-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: 58.0%

potassium cyanide + 5-bromomethyl-benzo[1,2,5]thiadiazole (65858-50-6) → 2-(benzo[c][1,2,5]thiadiazol-5-yl)acetonitrile (89899-11-6)

Guidance literature:

In ethanol; water; at 50 ℃; for 3h;

DOI:10.1002/anie.201411733

Reference yield: 47.0%

5-bromomethyl-benzo[1,2,5]thiadiazole (65858-50-6) → 2-(benzo[c][1,2,5]thiadiazol-5-yl)acetonitrile (89899-11-6)

Guidance literature:

In ethanol; water;

Reference yield:

5-methylbenzo[c][1,2,5]thiadiazole (1457-93-8) → 2-(benzo[c][1,2,5]thiadiazol-5-yl)acetonitrile (89899-11-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NBS / CCl₄

2: aq. ethanol

With N-Bromosuccinimide; In tetrachloromethane; ethanol;

upstream raw materials:

5-bromomethyl-benzo[1,2,5]thiadiazole

potassium cyanide

5-methylbenzo[c][1,2,5]thiadiazole

Downstream raw materials:

(benzo[c][1,2,5]thiadiazol-5-yl)acetic acid

2-benzo[1,2,5]thiadiazol-5-yl-N-phenyl-acetamide