4-(4-Bromophenyl)-2,6-diphenylpyrimidine

Basic Information

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CAS Number

58536-46-2

Molecular Formula

C22H15BrN2

Molecular Weight

387.28 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

Melting Point

165.0 to 169.0 deg-C

Boiling Point

456.7±27.0°C at 760 mmHg

Density

1.345

SMILES

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BrC1=CC=C(C2=NC(C3=CC=CC=C3)=NC(C4=CC=CC=C4)=C2)C=C1

InChI

InChI=1S/C22H15BrN2/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-22(25-21)18-9-5-2-6-10-18/h1-15H

InChIKey

GHDBFGUOBVYEOV-UHFFFAOYSA-N

LogP

6.240100000000005

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

395

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-(4-bromophenyl)-2,6-diphenylpyrimidine
4-(4-Bromo-phenyl)-26-diphenyl-pyrimidine
Pyrimidine, 4-(4-romophenyl)-2,6-iphenyl-
4-(4-bromo-phenyl)-2,6-diphenyl-pyrimidine
GHDBFGUOBVYEOV-UHFFFAOYSA-N
STK844335
AK552871
Pyrimidine, 4-(4-bromophenyl)-2,6-diphenyl-
AMY37836
(R)-6-fluoro-2-methyl-1,2,3,4-tetrahydroquioline

MDL Number

MFCD00474667

FAQ

What are the physical and chemical properties of 4-(4-Bromophenyl)-2,6-diphenylpyrimidine (CAS: 58536-46-2)?

4-(4-Bromophenyl)-2,6-diphenylpyrimidine is a crystalline solid with a molecular weight of approximately 558.25 g/mol. It has low water solubility and moderate solubility in organic solvents like DMSO. Chemically, it is moderately reactive, showing partial reactivity towards nucleophiles. It is stable under normal conditions but should be handled in a fume hood to avoid inhalation exposure.

How is 4-(4-Bromophenyl)-2,6-diphenylpyrimidine (CAS: 58536-46-2) typically synthesized?

4-(4-Bromophenyl)-2,6-diphenylpyrimidine is typically synthesized via a multi-step process involving bromination and coupling reactions. Commonly, the bromination of a suitable starting material followed by a Heck-type or Suzuki coupling with phenylboronic acid yields the target compound. This synthesis involves the use of palladium catalysts and is known for its high yield and selectivity.

What industries use 4-(4-Bromophenyl)-2,6-diphenylpyrimidine (CAS: 58536-46-2)?

4-(4-Bromophenyl)-2,6-diphenylpyrimidine is primarily utilized in the pharmaceutical industry, where it serves as a precursor in drug synthesis. It is also explored in polymer synthesis for its potential to enhance material properties and in semiconductor manufacturing for its functionality in organic electronics applications.

What precautions should be taken when handling 4-(4-Bromophenyl)-2,6-diphenylpyrimidine (CAS: 58536-46-2)?

When handling 4-(4-Bromophenyl)-2,6-diphenylpyrimidine, it is crucial to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbents, and the substance should be stored in a cool, dry place away from direct sunlight.