2-(4-BROMO-1H-PYRAZOL-1-YL)PYRIMIDINE

Base Information

• Chemical Name: 2-(4-BROMO-1H-PYRAZOL-1-YL)PYRIMIDINE
• CAS No.: 857641-46-4
• Molecular Formula: C7H5 Br N4
• Molecular Weight: 225.047
• Hs Code.: 2933990090
• Mol file: 857641-46-4.mol

Synonyms:2-(4-bromo-pyrazol-1-yl)-pyrimidine;2-(4-Bromo-1H-pyrazol-1-yl)pyrimidine;

Chemical Property of 2-(4-BROMO-1H-PYRAZOL-1-YL)PYRIMIDINE

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Boiling Point: 402.2oC at 760 mmHg
• PKA: -1.85±0.33(Predicted)
• Flash Point: 197oC
• PSA: 43.60000
• Density: 1.79g/cm3
• LogP: 1.42480
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Bromo-1h-pyrazol-1-yl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-BROMO-1H-PYRAZOL-1-YL)PYRIMIDINE

There total 2 articles about 2-(4-BROMO-1H-PYRAZOL-1-YL)PYRIMIDINE 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: 85.0%

1-(pyrimidin-2-yl)-1H-pyrazole (82882-56-2) → 2-(4-bromo-1H-pyrazol-1-yl)pyrimidine (857641-46-4)

Guidance literature:

With bromine; acetic acid; at 20 ℃;

Reference yield: 60.0%

4-bromo-1H-pyrazole (2075-45-8) + 2-chloropyrimidine (1722-12-9,1195939-87-7) → 2-(4-bromo-1H-pyrazol-1-yl)pyrimidine (857641-46-4)

Guidance literature:

4-bromo-1H-pyrazole; With potassium tert-butylate; Aliquat 336; at 120 ℃; for 0.5h;

2-chloropyrimidine; at 120 ℃; for 1h;

DOI:10.1002/ejic.200400412

Reference yield: 66.0%

(2-methylallyl)palladium-chloride dimer + thallium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate (188019-19-4) + 2-(4-bromo-1H-pyrazol-1-yl)pyrimidine (857641-46-4) → [Pd(η3-C4H7)(2-(4-bromo-1H-pyrazol-1-yl)pyrimidine)][tetrakis(3,5-trifluoromethylphenyl)borate] (857641-50-0)

Guidance literature:

In toluene; byproducts: TlCl; under N2; pyrimidine derivate (0.152 mmol) and Tl(B((CF3)2(C6H3))4) (0.152 mmol) added to soln. of Pd complex (0.076 mmol) in toluene; mixt. stirred at room temp. for 1 h; suspn. filtered; solid extd. with CH2Cl2; soln. evapd. to dryness; solidwashed with hexane; dried; elem. anal.;

DOI:10.1002/ejic.200400412

upstream raw materials:

4-bromo-1H-pyrazole

2-chloropyrimidine

1-(pyrimidin-2-yl)-1H-pyrazole

Downstream raw materials:

[Pd(η3-C4H7)(2-(4-bromo-1H-pyrazol-1-yl)pyrimidine)][tetrakis(3,5-trifluoromethylphenyl)borate]

propane-1-sulfonic acid {2,4-difluoro-3-[5-(1-pyrimidin-2-yl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-phenyl}-amide