175203-91-5

Basic information

• Product Name: 4-HEX-1-YNYLBENZONITRILE
• Synonyms: 4-HEX-1-YNYLBENZONITRILE;4-(HEX-1-YN-1-YL)BENZONITRILE
• CAS NO: 175203-91-5
• Molecular Formula: C₁₃H₁₃N
• Molecular Weight: 183.25
• Mol File: 175203-91-5.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 309.7°C at 760 mmHg
• Flash Point: 141.6°C
• Appearance: /
• Density: 1g/cm³
• Vapor Pressure: 0.00063mmHg at 25°C
• Refractive Index: 1.54
• CAS DataBase Reference: 4-HEX-1-YNYLBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HEX-1-YNYLBENZONITRILE(175203-91-5)
• EPA Substance Registry System: 4-HEX-1-YNYLBENZONITRILE(175203-91-5)

Safety Data

• Hazardous Substances Data: 175203-91-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H13N/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-10H,2-4H2,1H3

Upstream product

• 623-00-7 4-bromobenzenecarbonitrile 
• 623-03-0 4-Cyanochlorobenzene 
• 693-02-7 hex-1-yne 
• 3058-39-7 4-iodobenzonitrile 
• 66107-32-2 4-cyanophenyl trifluoromethanesulfonate 
• 36800-95-0 p-cyanophenyl p-toluenesulfonate 
• 542-69-8 1-iodo-butane 
• 3032-92-6 4-cyanophenylacetylene 
• 75867-40-2 4-[2-(trimethylsilyl)ethynyl]benzonitrile 
• 1350352-51-0 C₁₃H₁₅NO 
• 799797-30-1 4-cyanobenzene-1-sulfonohydrazide 
• 133381-92-7 hexynylzinc bromide 

Downstream Products

• 1350352-51-0 C₁₃H₁₅NO 
• 1421712-28-8 (E)-4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(tributylstannyl)hex-1-en-1-yl)benzonitrile 

Relevant articles and documents

A Pd NP-confined novel covalent organic polymer for catalytic applications

A novel unsymmetrical covalent organic polymer, COP (1), was designed and characterized using several analytical and spectroscopic techniques. COP (1) was synthesized via the nucleophilic substitution reaction of 2,4,6-trichloro-1,3,5-triazine with p-amin

Alkyne compound and synthesis method and application thereof

The invention relates to the field of organic synthesis, in particular to an alkyne compound and a synthesis method and application thereof. The invention discloses a method for synthesizing an alkynecompound, which comprises the following steps: allowing a compound in formula (II) and a compound in formula (III) to react in the presence of an inert solvent under the action of catalyst and oxidizing agent to obtain a compound in formula (I). The synthesis method has simple and easily available materials, safe and simple operation, wide application range of substrate and good selectivity, doesn't need pre-activating, and is easily involved in free radical reaction, and byproducts are nitrogen and water, which conforms to sustainable green chemistry. The alkyne compound obtained by the above synthesis method is a brand-new alkyne compound, and the alkyne compound can be widely used in the fields of medicine and materials, and solves the technical problems of high cost, low stability andcomplication of alkyne compound synthesis reaction in the prior art.

Synthesis, crystal structures and catalytic activities of new palladium(II)–bis(oxazoline) complexes

Palladium–bis(oxazoline) complexes (Pd-BOX-A and Pd-BOX-B) were synthesized and characterized by 1H, 13C NMR, IR and elemental analysis. The molecular structures of the complexes were confirmed by single-crystal X-ray analysis. In both cases, the palladium center is coordinated by the nitrogen atoms of the two oxazoline rings and two chloride ligands in a distorted square planar geometry. Despite the fact that the bis(oxazoline) ligand is achiral, the asymmetrical substitution on the phenyl spacer and the rigid backbone of the complex Pd-BOX-A induce inherent chirality and the compound crystallizes as a racemic mixture. Both complexes were found to be highly effective catalysts for Suzuki–Miyaura, Mizoroki–Heck and Sonogashira cross-coupling reactions. They also show excellent catalytic activities toward carbonylative coupling reactions.