Buy 1-Phenyl-2-nitropropene - 18315-84-9

Description

1-Phenyl-2-nitropropene, also known as PNP, is a versatile organic compound with a wide range of applications in the scientific research field. It is a colorless, crystalline solid with a molecular weight of 181.20 g/mol and a boiling point of 116-118°C. PNP has been used in a variety of research areas, including organic synthesis, drug development, and biochemical and physiological research.

Synthesis Method

1-Phenyl-2-nitropropene can be synthesized using two different methods: the nitration of benzene or the nitration of 2-nitro-1-phenylpropane. The nitration of benzene involves the reaction of benzene with nitric acid and sulfuric acid at elevated temperatures. The nitration of 2-nitro-1-phenylpropane involves the reaction of 2-nitro-1-phenylpropane with nitric acid and sulfuric acid. Both methods yield a product that is approximately 95% pure 1-Phenyl-2-nitropropene.

Synthesis Method Details

Design of the Synthesis Pathway
The synthesis pathway for 1-Phenyl-2-nitropropene involves the condensation of benzaldehyde with nitroethane, followed by reduction of the resulting nitrostyrene to the desired product.

Starting Materials
Benzaldehyde, Nitroethane, Sodium hydroxide, Ethanol, Hydrochloric acid, Sodium borohydride

Reaction
Step 1: Dissolve benzaldehyde (1.0 mole) in nitroethane (1.5 moles) and add sodium hydroxide (1.5 moles)., Step 2: Heat the reaction mixture under reflux for several hours until a yellow precipitate forms., Step 3: Cool the reaction mixture and filter the precipitate, which is the nitrostyrene intermediate., Step 4: Dissolve the nitrostyrene intermediate in ethanol and add sodium borohydride (1.5 moles) slowly with stirring., Step 5: Add hydrochloric acid to the reaction mixture to acidify it and then extract the product with a suitable organic solvent., Step 6: Purify the product by recrystallization from a suitable solvent.

Scientific Research Applications

1-Phenyl-2-nitropropene has a wide range of applications in the scientific research field. It has been used in the synthesis of a variety of organic compounds, including pharmaceuticals and other drugs. In addition, 1-Phenyl-2-nitropropene has been used in the synthesis of polymers and other materials. It has also been used in the study of biochemical and physiological systems, as well as in drug development.

Mechanism of Action

The mechanism of action of 1-Phenyl-2-nitropropene is not well understood. However, it is believed that the nitro group of 1-Phenyl-2-nitropropene is responsible for its biological activity. The nitro group can undergo reduction to form a nitric oxide radical, which can then interact with various biological molecules. This interaction can lead to changes in the structure and function of the molecules, which can then lead to changes in the biochemical and physiological processes of the organism.

Biochemical and Physiological Effects

1-Phenyl-2-nitropropene has been found to have a variety of biochemical and physiological effects. In vitro studies have shown that 1-Phenyl-2-nitropropene can inhibit the growth of bacteria and fungi and can also act as an anti-inflammatory agent. 1-Phenyl-2-nitropropene has also been found to have antioxidant and anti-cancer properties. In addition, 1-Phenyl-2-nitropropene has been found to have an effect on the nervous system, as it can act as a sedative and anticonvulsant.

Advantages and Limitations for Lab Experiments

The use of 1-Phenyl-2-nitropropene in lab experiments has a number of advantages. 1-Phenyl-2-nitropropene is relatively inexpensive and easy to obtain, and it is also easy to store and transport. In addition, 1-Phenyl-2-nitropropene is relatively stable and has a low toxicity profile. However, there are also some limitations to the use of 1-Phenyl-2-nitropropene in lab experiments. 1-Phenyl-2-nitropropene is not soluble in water, which can make it difficult to use in aqueous solutions. In addition, 1-Phenyl-2-nitropropene is not very soluble in organic solvents, which can limit its use in organic synthesis.

Future Directions

There are a number of potential future directions for research involving 1-Phenyl-2-nitropropene. One potential direction is the development of new synthetic methods for the production of 1-Phenyl-2-nitropropene. Another potential direction is the development of new applications for 1-Phenyl-2-nitropropene in the scientific research field. In addition, further research into the biochemical and physiological effects of 1-Phenyl-2-nitropropene could lead to the development of new drugs or treatments. Finally, further research into the mechanism of action of 1-Phenyl-2-nitropropene could lead to a better understanding of its biological activity.

CAS RN

18315-84-9

Product Name

1-Phenyl-2-nitropropene

Molecular Formula

C9H9NO2

Molecular Weight

163.17 g/mol

IUPAC Name

[(E)-2-nitroprop-1-enyl]benzene

InChI

InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+

InChI Key

WGSVFWFSJDAYBM-BQYQJAHWSA-N

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/[N+](=O)[O-]

SMILES

CC(=CC1=CC=CC=C1)[N+](=O)[O-]

Canonical SMILES

CC(=CC1=CC=CC=C1)[N+](=O)[O-]

Other CAS RN

18315-84-9
705-60-2

Pictograms

Irritant

Synonyms

1-phenyl-2-nitro-1-propene
1-phenyl-2-nitropropene
1-phenyl-2-nitropropene, (E)-isomer
2-nitro-1-phenyl-1-propene

Origin of Product

United States