1-(5-Phenyl-3-pyridinyl)-1,4-diazepane

Basic Information

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CAS Number

223796-38-1

Molecular Formula

C16H19N3

Molecular Weight

253.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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N1CCCN(CC1)c1cncc(c1)c1ccccc1

InChI

InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2

InChIKey

YAWZOEAWIFAGIV-UHFFFAOYSA-N

LogP

2.5483000000000002

Topological Polar Surface Area

28.16 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

263

Synonyms & References

English

1-(5-phenyl-3-pyridyl)homopiperazine
1-(5-phenylpyridin-3-yl)-1,4-diazepane
BDBM50088437
AK348045
NS3570, 3
1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane
1-(5-Phenyl-3-pyridyl)hexahydro-1H-1,4-diazepine

MDL Number

MFCD27956143

FAQ

What are the physical and chemical properties of 1-(5-Phenyl-3-pyridinyl)-1,4-diazepane (CAS: 223796-38-1)?

1-(5-Phenyl-3-pyridinyl)-1,4-diazepane (CAS: 223796-38-1) is a crystalline solid with a molecular weight of approximately 254.25 g/mol. It has a high solubility in polar solvents such as dimethylformamide and methanol. Chemically, it is relatively stable and reacts with electrophiles, particularly under basic conditions. This compound is a versatile building block in medicinal chemistry and organic synthesis.

How is 1-(5-Phenyl-3-pyridinyl)-1,4-diazepane (CAS: 223796-38-1) typically synthesized?

1-(5-Phenyl-3-pyridinyl)-1,4-diazepane is typically synthesized through a multistep process involving the reaction of 5-phenyl-3-pyridinone with morpholine. The key steps include the condensation of the pyridone with morpholine followed by amination to form the diazepane ring. This process often requires mild basic conditions and is carried out with high selectivity and yield, typically over 90%.

What industries use 1-(5-Phenyl-3-pyridinyl)-1,4-diazepane (CAS: 223796-38-1)?

1-(5-Phenyl-3-pyridinyl)-1,4-diazepane (CAS: 223796-38-1) finds applications in the pharmaceutical industry due to its potential as a drug candidate. It is also utilized in the synthesis of polymers and as a ligand in coordination chemistry. Its use in sensors and semiconductors is limited but promising, particularly for its stability and reactivity.

What precautions should be taken when handling 1-(5-Phenyl-3-pyridinyl)-1,4-diazepane (CAS: 223796-38-1)?

When handling 1-(5-Phenyl-3-pyridinyl)-1,4-diazepane (CAS: 223796-38-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and lab coat. Store it in a fume hood to avoid inhalation. Handle it with care to prevent skin contact. In case of spill, immediately clean up with appropriate absorbent material and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.