Pyrimidine, 2-chloro-4-ethynyl- (9CI)

Base Information

• Chemical Name: Pyrimidine, 2-chloro-4-ethynyl- (9CI)
• CAS No.: 37968-69-7
• Molecular Formula: C6H3ClN2
• Molecular Weight: 138.55442
• Hs Code.: 2933599090
• Mol file: 37968-69-7.mol

Synonyms:Pyrimidine, 2-chloro-4-ethynyl- (9CI);2-Chloro-4-ethynylpyrimidine

Chemical Property of Pyrimidine, 2-chloro-4-ethynyl- (9CI)

Chemical Property:

• Melting Point: 139-141 °C
• Boiling Point: 272.1±13.0 °C(Predicted)
• PKA: -2.67±0.20(Predicted)
• PSA: 25.78000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 1.11130

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-4-ethynylpyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Pyrimidine, 2-chloro-4-ethynyl- (9CI)

There total 4 articles about Pyrimidine, 2-chloro-4-ethynyl- (9CI) 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: 97.0%

2-chloro-4-((trimethylsilyl)ethynyl)pyrimidine (37972-23-9) → 2-chloro-4-ethynylpyrimidine (37968-69-7)

Guidance literature:

With methanol; potassium hydroxide; at 20 ℃;

DOI:10.1016/j.tet.2009.12.020

Reference yield: 84.0%

2,6-Dichloropyrimidine (3934-20-1) + trimethylsilylacetylene (1066-54-2) → 2-chloro-4-ethynylpyrimidine (37968-69-7)

Guidance literature:

2,6-Dichloropyrimidine; trimethylsilylacetylene; With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; triethylamine; triphenylphosphine; In tetrahydrofuran; at 50 ℃; for 2h; Inert atmosphere;

In methanol; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2020.127433

Reference yield:

2,6-Dichloropyrimidine (3934-20-1) + acetylene (74-86-2,25067-58-7) → 2-chloro-4-ethynylpyrimidine (37968-69-7)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1016/j.bmcl.2007.03.078

upstream raw materials:

2,6-Dichloropyrimidine

acetylene

2-chloro-4-((trimethylsilyl)ethynyl)pyrimidine

trimethylsilylacetylene

Downstream raw materials:

3-(2-chloro-pyrimidin-4-yl)-1H-indole

3-(2-chloropyrimidin-4-yl)-7-nitro-1H-indole