(Z)-tert-Butyl 2-(5-bromopyridin-2(1H)-ylidene)-2-cyanoacetate

Base Information

• Chemical Name: (Z)-tert-Butyl 2-(5-bromopyridin-2(1H)-ylidene)-2-cyanoacetate
• CAS No.: 831203-34-0
• Molecular Formula: C12H13BrN2O2
• Molecular Weight: 297.14800
• Hs Code.: 2933399090
• Mol file: 831203-34-0.mol

Synonyms:tert-butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate;

Chemical Property of (Z)-tert-Butyl 2-(5-bromopyridin-2(1H)-ylidene)-2-cyanoacetate

Chemical Property:

• Melting Point: 176-179 °C
• Boiling Point: 303.6±42.0 °C(Predicted)
• PKA: -6.97±0.40(Predicted)
• PSA: 65.88000
• Density: 1.440±0.06 g/cm3(Predicted)
• LogP: 2.07428
• Storage Temp.: Room temperature.

Purity/Quality:

95% ^*data from raw suppliers

t-Butyl2-(5-bromopyridin-2-yl)-2-cyanoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (Z)-tert-Butyl 2-(5-bromopyridin-2(1H)-ylidene)-2-cyanoacetate

There total 1 articles about (Z)-tert-Butyl 2-(5-bromopyridin-2(1H)-ylidene)-2-cyanoacetate 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: 88.0%

2,5-dibromopyridine (624-28-2) + cyanoacetic acid tert-butyl ester (1116-98-9) → tert-butyl (5-bromo-2(1H)-pyridinylidene)cyanoacetate (831203-34-0)

Guidance literature:

cyanoacetic acid tert-butyl ester; With sodium hydride; In dimethyl sulfoxide; mineral oil; at 18 - 25 ℃; for 3h;

2,5-dibromopyridine; In dimethyl sulfoxide; mineral oil; at 120 ℃; for 6.5h;

DOI:10.1021/jm800800c

Reference yield: 72.0%

tert-butyl (5-bromo-2(1H)-pyridinylidene)cyanoacetate (831203-34-0) → 2-(5-bromopyridin-2-yl)acetonitrile (312325-72-7)

Guidance literature:

With Montmorillonite KSF clay; In acetonitrile; for 6h; Reflux;

DOI:10.1021/jm800800c

upstream raw materials:

2,5-dibromopyridine

cyanoacetic acid tert-butyl ester

Downstream raw materials:

2-(5-bromopyridin-2-yl)acetonitrile

Refernces