5-BROMO-2-PYRIMIDINEACETONITRILE

Base Information

• Chemical Name: 5-BROMO-2-PYRIMIDINEACETONITRILE
• CAS No.: 831203-15-7
• Molecular Formula: C6H4BrN3
• Molecular Weight: 198.022
• Hs Code.: 2933599090
• Mol file: 831203-15-7.mol

Synonyms:(5-Bromopyrimidin-2-yl)acetonitrile;

Chemical Property of 5-BROMO-2-PYRIMIDINEACETONITRILE

Chemical Property:

• Vapor Pressure: 0.00168mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 293.8 °C at 760 mmHg
• PKA: -1.39±0.22(Predicted)
• Flash Point: 131.5 °C
• PSA: 49.57000
• Density: 1.674 g/cm³
• LogP: 1.30518
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(5-Bromopyrimidin-2-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-BROMO-2-PYRIMIDINEACETONITRILE

There total 3 articles about 5-BROMO-2-PYRIMIDINEACETONITRILE 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: 71.0%

tert-butyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetic acid (1305329-97-8) → 2-(5-bromopyrimidin-2-yl)acetonitrile (831203-15-7)

Guidance literature:

tert-butyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetic acid; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

With sodium hydrogencarbonate; In water;

Reference yield: 45.0%

cyanoacetic acid tert-butyl ester (1116-98-9) + 5-Bromo-2-chloropyrimidine (32779-36-5) → 2-(5-bromopyrimidin-2-yl)acetonitrile (831203-15-7)

Guidance literature:

cyanoacetic acid tert-butyl ester; With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 1h; Inert atmosphere;

5-Bromo-2-chloropyrimidine; In dimethyl sulfoxide; at 20 ℃; for 8h; Inert atmosphere;

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield: 43.0%

ethyl (5-bromopyrimidin-2-yl)(cyano)acetate (65364-66-1) → 2-(5-bromopyrimidin-2-yl)acetonitrile (831203-15-7)

Guidance literature:

ethyl (5-bromopyrimidin-2-yl)(cyano)acetate; With sodium chloride; In water; dimethyl sulfoxide; at 120 ℃; for 3h;

With sodium hydroxide; In water;

upstream raw materials:

ethyl (5-bromopyrimidin-2-yl)(cyano)acetate

tert-butyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetic acid

cyanoacetic acid tert-butyl ester

5-Bromo-2-chloropyrimidine

Refernces

• 1、 -. "NITROGEN-CONTAINING HETEROCYCLIC ALKENYL COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC SEMICONDUCTOR DEVICE". Paragraph 0152; 0153. . Retrieved 2017/12/27.
• 2、 -. "NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES". Page/Page column 29. . Retrieved 2008/06/13.