4,6-Dichloro-2-(3-pyridinyl)pyrimidine

Basic Information

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CAS Number

89508-47-4

Molecular Formula

C9H5Cl2N3

Molecular Weight

226.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=CN=C1)C2=NC(=CC(=N2)Cl)Cl

InChI

InChI=1S/C9H5Cl2N3/c10-7-4-8(11)14-9(13-7)6-2-1-3-12-5-6/h1-5H

InChIKey

RECDDDYREDDCDJ-UHFFFAOYSA-N

LogP

2.8454000000000015

Topological Polar Surface Area

38.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

181

Synonyms & References

English

Pyrimidine, 4,6-dichloro-2-(3-pyridinyl)-
89508-47-4
RECDDDYREDDCDJ-UHFFFAOYSA-N
4,6-dichloro-2-pyridin-3-ylpyrimidine
4,6-Dichloro-2-pyridin-3-yl-pyrimidine
CS-0183189
DTXSID30647967
4,6-dichloro-2-(pyridin-3-yl)pyrimidine
AKOS012923628
EN300-117832
4,6-dichloro-2-(3-pyridinyl)pyrimidine, AldrichCPR
MFCD11046811
F8889-4761
AS-35526
Z1140391412
SCHEMBL4631802

MDL Number

MFCD11046811

FAQ

What are the physical and chemical properties of 4,6-Dichloro-2-(3-pyridinyl)pyrimidine (CAS: 89508-47-4)?

4,6-Dichloro-2-(3-pyridinyl)pyrimidine (CAS: 89508-47-4) is a crystalline solid with a molecular weight of approximately 268.04 g/mol. It has a melting point of 183-185°C and is poorly soluble in water but soluble in common organic solvents like methanol and ethanol. This compound is known for its high reactivity, particularly in nucleophilic substitution reactions.

How is 4,6-Dichloro-2-(3-pyridinyl)pyrimidine (CAS: 89508-47-4) typically synthesized?

4,6-Dichloro-2-(3-pyridinyl)pyrimidine is typically synthesized through the condensation of 2-aminopyrimidine with 3-chloropyridine in the presence of a base like sodium hydride. The reaction is carried out in an aprotic solvent like dimethylformamide (DMF) under anhydrous conditions. The process yields a highly selective product with good purity and yield.

What industries use 4,6-Dichloro-2-(3-pyridinyl)pyrimidine (CAS: 89508-47-4)?

4,6-Dichloro-2-(3-pyridinyl)pyrimidine (CAS: 89508-47-4) is primarily used in the pharmaceutical industry for the synthesis of various drug candidates. It also finds applications in the development of new materials, particularly in the area of semiconductors and sensors, due to its unique chemical properties.

What precautions should be taken when handling 4,6-Dichloro-2-(3-pyridinyl)pyrimidine (CAS: 89508-47-4)?

When handling 4,6-Dichloro-2-(3-pyridinyl)pyrimidine (CAS: 89508-47-4), use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure to vapors. Spills should be cleaned up carefully following standard procedures, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.