4-(Pyridin-3-yl)pyrimidine

Base Information

• Chemical Name: 4-(Pyridin-3-yl)pyrimidine
• CAS No.: 98589-71-0
• Molecular Formula: C₉H₇N₃
• Molecular Weight: 157.175
• DSSTox Substance ID: DTXSID80593521
• Nikkaji Number: J3.433.530C
• Wikidata: Q82488020
• Mol file: 98589-71-0.mol

Synonyms:4-(pyridin-3-yl)pyrimidine;98589-71-0;4-(3-pyridyl)pyrimidine;SCHEMBL1444779;DTXSID80593521;AKOS006371715;SB56350

Chemical Property of 4-(Pyridin-3-yl)pyrimidine

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.063997236
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

4-(Pyridin-3-yl)pyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C2=NC=NC=C2

Technology Process of 4-(Pyridin-3-yl)pyrimidine

There total 6 articles about 4-(Pyridin-3-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: 91.0%

1,3,5-Triazine (290-87-9) + methyl-3-pyridylketone (350-03-8) → 4-(pyridin-3-yl)pyrimidine (98589-71-0)

Guidance literature:

With morpholine; triethylamine; In methanol; at 90 ℃; for 84h; regioselective reaction;

DOI:10.1039/c5ra16995j

Reference yield: 73.0%

methyl-3-pyridylketone (350-03-8) + orthoformic acid triethyl ester (122-51-0) → 4-(pyridin-3-yl)pyrimidine (98589-71-0)

Guidance literature:

With boron tri(hydrogen sulphate); ammonium acetate; In neat (no solvent); at 100 ℃; for 2h;

DOI:10.3184/174751914X14069964360841

Reference yield: 63.0%

3-Bromopyridine (626-55-1,163928-56-1) + sodium pyrimidine-4-carboxylate → 4-(pyridin-3-yl)pyrimidine (98589-71-0)

Guidance literature:

With copper(I) oxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl acetamide; at 160 ℃; for 24h; Molecular sieve; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.05.086

upstream raw materials:

PYRIMIDINE

3-pyridyllithium

methyl-3-pyridylketone

3-methyl-5-nitro-4(3H)-pyrimidinone