23996-12-5

Basic information

• Product Name: 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile
• Synonyms: 3-(2-PHENYL-1H-IMIDAZOL-1-YL)PROPANENITRILE;3-(2-PHENYL-1-IMIDAZOLYL)PROPIONITRILE;2-phenyl-1h-imidazole-1-propanenitril;2-phenyl-1H-Imidazole-1-propanenitrile;2-phenyl-1H-imidazole-1-propiononitrile;1-CYANOETHYL-2-PHENYLIMIDAZOLE 98+%;1-(2-Cyanoethyl)-2-phenyl-1H-imidazole;3-(2-Phenyl-1H-imidazole-1-yl)propionitrile
• CAS NO: 23996-12-5
• Molecular Formula: C₁₂H₁₁N₃
• Molecular Weight: 197.24
• EINECS: 245-972-9
• Product Categories: Imidazoles
• Mol File: 23996-12-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 99.5-101.5°C
• Boiling Point: 418.287 °C at 760 mmHg
• Flash Point: 206.773 °C
• Appearance: /
• Density: 1.09 g/cm³
• Vapor Pressure: 3.32E-07mmHg at 25°C
• Refractive Index: 1.596
• PKA: 6.20±0.31(Predicted)
• Water Solubility: Practically insoluble in water
• CAS DataBase Reference: 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile(23996-12-5)
• EPA Substance Registry System: 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile(23996-12-5)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39
• Hazardous Substances Data: 23996-12-5(Hazardous Substances Data)

Usage

Chemical Properties

Class white to yellowish powder

InChI:InChI=1/C12H11N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,9H2

Upstream product

• 542-76-7 3-Chloropropionitrile 
• 670-96-2 2-Phenylimidazole 
• 107-13-1 acrylonitrile 

Downstream Products

• 1542141-77-4 C₁₂H₁₁N₃*H₂O₄S 
• 2518-30-1 3-(2-phenyl-1H-imidazol-1-yl)propanamine 

Relevant articles and documents

Synthetic method N - cyanoethyl imidazole compound

The N - cyanoethyl imidazole compound is prepared from imidazoles and derivatives thereof as raw materials and acrylonitrile as Michael addition acceptors, and is free of catalysts. The N - cyanoethyl imidazole compound is synthesized in a solvent-free and air atmosphere at a high yield in a one-step method. The method is simple to operate, environmentally friendly, economical and practical, stable in performance and wide in product market. The reaction does not need special post-treatment, no by-product is generated, and the method is suitable for industrial production.

An efficient protocol for facile synthesis of new 5-substituted-1H-tetrazole derivatives using copper-doped silica cuprous sulfate (CDSCS) as heterogeneous nano-catalyst

A facile and highly efficient protocol for synthesis of new 5-substituted-1H-tetrazoles derivatives using copper-doped silica cuprous sulfate (CDSCS) is described. In this method, the cycloaddition reaction of sodium azide with structurally diverse nitriles involving bioactive N-heterocyclic cores exploiting CDSCS in refluxing H2O/i-PrOH (1:1, v/v) furnishes the corresponding 5-substituted-1H-tetrazoles in good to excellent yields (up to 93percent). The influence of parameters effective in progress of reaction including solvent type, temperature and catalyst was studied and discussed. In this protocol, CDSCS was proved to be an efficient heterogeneous nano-catalyst to easily achieve the new tetrazole derivatives. The advantages of CDSCS in current protocol known are its cheapness, thermal and chemical stability, ease of recyclability and reusability for several consecutive runs without significant decline in its reactivity.

Thromboxane synthetase inhibitors and antihypertensive agents. 1. N-[(1H-imidazol-1-yl)alkyl]aryl amides and N-[(1H-1,2,4-triazol-1-yl)alkyl]aryl amides

-