5-(Pyridin-2-yl)pyrimidine

Base Information

• Chemical Name: 5-(Pyridin-2-yl)pyrimidine
• CAS No.: 64858-29-3
• Molecular Formula: C9H7 N3
• Molecular Weight: 157.17198
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20456085
• Nikkaji Number: J2.223.672E
• Wikidata: Q82278293
• ChEMBL ID: CHEMBL1900900
• Mol file: 64858-29-3.mol

Synonyms:5-(Pyridin-2-yl)pyrimidine;64858-29-3;5-pyridin-2-ylpyrimidine;5-(2-Pyridinyl)pyrimidine;5-Pyridin-2-yl-pyrimidine;Pyrimidine, 5-(2-pyridinyl)- (9CI);MFCD13152524;Pyrimidine, 5-(2-pyridinyl)-;5-(2-Pyridyl)pyrimidine;MLS002206294;SCHEMBL998558;CHEMBL1900900;DTXSID20456085;HMS2195A09;HMS3351C04;AKOS016007613;SB53112;SMR001295112

Chemical Property of 5-(Pyridin-2-yl)pyrimidine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 314.566°C at 760 mmHg
• Flash Point: 146.885°C
• PSA: 38.67000
• Density: 1.17g/cm³
• LogP: 1.53860
• Storage Temp.: 2-8°C
• 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: 132

Purity/Quality:

95% ^*data from raw suppliers

5-Pyridin-2-yl-pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(Pyridin-2-yl)pyrimidine

There total 12 articles about 5-(Pyridin-2-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%

5-bromopyrimidine (4595-59-9) + lithium (pyridine-2-yl)triisopropoxyborate → 5-(pyridine-2-yl)pyrimidine (64858-29-3)

Guidance literature:

With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; Diphenylphosphine oxide; In 1,4-dioxane; at 110 ℃; for 20h;

DOI:10.1002/anie.200801465

Reference yield: 82.0%

5-bromopyrimidine (4595-59-9) + 2-tri-n-butylstannylpyridine (17997-47-6) → 5-(pyridine-2-yl)pyrimidine (64858-29-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; for 24h; Heating;

Reference yield: 81.0%

5-bromopyrimidine (4595-59-9) + (pyridin-2-yl)magnesium bromide (21970-13-8) → 5-(pyridine-2-yl)pyrimidine (64858-29-3)

Guidance literature:

With C₄₂H₆₄O₄P₂Pd; In tetrahydrofuran; at 60 ℃; for 20h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201000032

upstream raw materials:

PYRIMIDINE

2-pyridyllithium

5-bromopyrimidine

pyridin-2-yl trifluoromethanesulfonate