5343-98-6

Basic information

• Product Name: 4-OXO-4-PHENYLBUTANENITRILE, 97
• Synonyms: 4-OXO-4-PHENYLBUTANENITRILE, 97;3-Benzoylpropio-nitrileBenzene,butanenitrile,gama-oxo-;β-benzoylpropionitrile;4-keto-4-phenyl-butyronitrile;4-Oxo-4-phenylbutanenitrile 97%
• CAS NO: 5343-98-6
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.187
• Mol File: 5343-98-6.mol
• Article Data: 49

Chemical Properties

• Melting Point: 74-78 °C
• Boiling Point: 114°C/0.3mmHg(lit.)
• Flash Point: 150.7°C
• Appearance: /
• Density: 1.08g/cm³
• Vapor Pressure: 0.000229mmHg at 25°C
• Refractive Index: 1.529
• Solubility: soluble in Methanol
• CAS DataBase Reference: 4-OXO-4-PHENYLBUTANENITRILE, 97(CAS DataBase Reference)
• NIST Chemistry Reference: 4-OXO-4-PHENYLBUTANENITRILE, 97(5343-98-6)
• EPA Substance Registry System: 4-OXO-4-PHENYLBUTANENITRILE, 97(5343-98-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 5343-98-6(Hazardous Substances Data)

Usage

General Description

4-OXO-4-PHENYLBUTANENITRILE, 97 is a chemical compound with a purity of 97%. It has a molecular formula C10H9NO and a molecular weight of 159.18. It is commonly used in the pharmaceutical industry for the synthesis of various organic compounds. This chemical is known for its versatile properties and is often used as an intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. It is important to handle this chemical with care and follow proper safety procedures when working with it.

InChI:InChI=1/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

Upstream product

• 63261-17-6 Bis(benzoyl-2-ethyl)-sulfon 
• 143-33-9 sodium cyanide 
• 13735-81-4 1-styrenyloxytrimethylsilane 
• 75-05-8 acetonitrile 
• 174869-02-4 α-(2-cyanoethyl)benzoin 
• 69287-20-3 4-Methanesulfinyl-4-phenyl-4-phenylsulfanyl-butyronitrile 
• 115205-43-1 (Z)-4-Phenyl-4-phenylsulfanyl-but-3-enenitrile 
• 93-97-0 benzoic acid anhydride 
• 107-13-1 acrylonitrile 
• 98-88-4 benzoyl chloride 
• 2517-76-2 3-iodopropanenitrile 
• 83144-17-6 Acetic acid (E)-3-cyano-1-phenyl-allyl ester 
• 936-59-4 3-chloropropiophenone 
• 768-03-6 Phenyl vinyl ketone 

Downstream Products

• 24241-74-5 (+/-)-4-hydroxy-4-phenylbutanenitrile 
• 72335-16-1 4-chloro-4-phenylbutyronitrile 
• 60755-22-8 1-(4-methoxyphenyl)-4-phenyl-1,4-butanedione 
• 495-71-6 phenacylacetophenone 
• 838-40-4 2,5-diphenyl-1H-pyrrole 
• 111138-02-4 (-)-(S)-5-phenyl-4,5-dihydrofuran-2(3H)-one 
• 136232-12-7 (S)(-)-4-hydroxy-4-phenylbutyronitrile 
• 22984-72-1 2-cyano-4-oxo-4-phenyl-butyric acid 
• 1018690-24-8 3-(5-(2,5-difluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propanenitrile 

Relevant articles and documents

Extending the Synthetic Utilities of the Tandem Cyclic Sulfate Rearrangement—Opening Process: Synthesis of β-Hydroxy-γ-phenyl-γ-lactam

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Metal-free enaminone C-N bond cyanation for the stereoselective synthesis of (E)- And (Z)-β-cyano enones

A highly practical method for C-CN bond formation by C-N bond cleavage on enaminones leading to the efficient synthesis of β-cyano enones is developed. The reactions take place efficiently to provide (E)-β-cyano enones with only a molecular iodine catalyst. In addition, the additional employment of oxalic acid enables the selective synthesis of (Z)-β-cyano enones.

Preparation method of alkyl nitrile compound

The invention discloses a preparation method of an alkyl nitrile compound shown as formula I. The preparation method comprises the following step: in a solvent, in the presence of an additive, carrying out substitution reaction as shown in the specification on a cyanation reagent and an alkyl halide shown as formula II to obtain the alkyl nitrile compound shown as formula I, wherein the cyanationreagent is Zn (CN) 2 and/or Cu (CN) 2; the additive is one or more of an inorganic base, an organic base and a quaternary ammonium salt.