2-(6-bromobenzo[1,3]dioxol-5-yl)acetonitrile

Base Information

• Chemical Name: 2-(6-bromobenzo[1,3]dioxol-5-yl)acetonitrile
• CAS No.: 5434-50-4
• Molecular Formula: C9H6 Br N O2
• Molecular Weight: 240.056
• Hs Code.: 2932999099
• Mol file: 5434-50-4.mol

Synonyms:Acetonitrile,[2-bromo-4,5-(methylenedioxy)phenyl]- (6CI,7CI,8CI); NSC 15650; NSC 92005

Chemical Property of 2-(6-bromobenzo[1,3]dioxol-5-yl)acetonitrile

Chemical Property:

• Vapor Pressure: 4.03E-05mmHg at 25°C
• Boiling Point: 351.7°Cat760mmHg
• Flash Point: 166.5°C
• PSA: 42.25000
• Density: 1.678g/cm³
• LogP: 2.24388

Purity/Quality:

(6-Bromo-1,3-benzodioxol-5-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(6-bromobenzo[1,3]dioxol-5-yl)acetonitrile

There total 14 articles about 2-(6-bromobenzo[1,3]dioxol-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: 92.0%

sodium cyanide (773837-37-9) + 5-bromo-6-bromomethylbenzo[1,3]dioxole (5434-47-9) → 2-(5-bromobenzo[d][1,3]dioxol-6-yl)acetonitrile (5434-50-4)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/jo2025477

Reference yield: 90.0%

3,4-methylenedioxyphenylacetonitrile (4439-02-5) → 2-(5-bromobenzo[d][1,3]dioxol-6-yl)acetonitrile (5434-50-4)

Guidance literature:

With N-Bromosuccinimide; trifluoroacetic acid; In acetonitrile; at 20 ℃; for 6h;

DOI:10.1021/acs.orglett.9b04206

Reference yield: 90.0%

5-bromo-6-bromomethylbenzo[1,3]dioxole (5434-47-9) + potassium cyanide (151-50-8) → 2-(5-bromobenzo[d][1,3]dioxol-6-yl)acetonitrile (5434-50-4)

Guidance literature:

With 18-crown-6 ether; potassium iodide; In water; acetonitrile; for 10h;

upstream raw materials:

5-bromo-6-(chloromethyl)benzo[d][1,3]dioxole

potassium cyanide

2-(6-bromobenzo[1,3]dioxol-5-yl)acetamide

(6-bromobenzo[1,3]dioxol-5-yl)acetic acid

Downstream raw materials:

(6-bromobenzo[1,3]dioxol-5-yl)acetic acid

2-(5-bromobenzo[d][1,3]dioxol-6-yl)-3-(methylthio)-3-phenylacrylonitrile

(9H-fluoren-9-yl)methyl 2-(3-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)propyl)-4,5-dihydroxyphenethylcarbamate

3-cyano-5, 6-methylenedioxy-2-(phenylamino)benzo[b]thiophene