4-Bromo-2,6-diethylpyridine

Basic Information

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CAS Number

877133-54-5

Molecular Formula

C9H12BrN

Molecular Weight

214.11 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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CCC1=CC(Br)=CC(CC)=N1

InChI

InChI=1S/C9H12BrN/c1-3-8-5-7(10)6-9(4-2)11-8/h5-6H,3-4H2,1-2H3

InChIKey

QAIRPCMWTLMPCW-UHFFFAOYSA-N

LogP

2.9689000000000014

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

104

Synonyms & References

English

4-Bromo-2,6-diethylpyridine
4-Bromo-2,6-diethyl-pyridine
Pyridine, 4-bromo-2,6-diethyl-
Pyridine,4-bromo-2,6-diethyl
Pyridine,4-bromo-2,6-diethyl-
QAIRPCMWTLMPCW-UHFFFAOYSA-N
3942AC
SB21427
FCH1346944
VP15071
AM804469
AX8160921
133B545
4-bromo-2,6-diethylpyridine
4-Bromo-2,6-diethylpyridine (ACI)

MDL Number

MFCD12755732

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-Bromo-2,6-diethylpyridine (CAS: 877133-54-5)?

4-Bromo-2,6-diethylpyridine (CAS: 877133-54-5) is a crystalline compound with a molecular weight of 212.12 g/mol. It is sparingly soluble in water but soluble in common organic solvents like ethanol and dichloromethane. Chemically, it is relatively stable but can undergo nucleophilic substitution reactions, especially with strong bases or in the presence of halide ions.

How is 4-Bromo-2,6-diethylpyridine (CAS: 877133-54-5) typically synthesized?

4-Bromo-2,6-diethylpyridine can be synthesized through a nucleophilic aromatic substitution reaction, where 2,6-diethylpyridine reacts with bromine in an alkaline medium. Commonly, this involves heating the pyridine with bromine in the presence of sodium hydroxide to achieve a yield of about 80%. The reaction is carefully monitored to ensure selective bromination.

What industries use 4-Bromo-2,6-diethylpyridine (CAS: 877133-54-5)?

4-Bromo-2,6-diethylpyridine (CAS: 877133-54-5) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry as a precursor for functionalized polymers and in the electronics sector for the production of sensors and semiconductors.

What precautions should be taken when handling 4-Bromo-2,6-diethylpyridine (CAS: 877133-54-5)?

When handling 4-Bromo-2,6-diethylpyridine (CAS: 877133-54-5), appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbent materials, and proper disposal methods should be followed as per safety data sheet (SDS) guidelines to prevent environmental contamination.