16967-02-5

Basic information

• Product Name: 1-PHENYL-1-OCTYNE
• Synonyms: 1-Octynylbenzene;TIMTEC-BB SBB008965;1-PHENYL-1-OCTYNE;1-N-HEXYL-2-PHENYLACETYLENE;n-Hexyl phenyl acetylene;1-PHENYL-1-OCTYNE 97%;1-Hexyl-2-phenylacetylene
• CAS NO: 16967-02-5
• Molecular Formula: C₁₄H₁₈
• Molecular Weight: 186.29
• Product Categories: Acetylenes;Acetylenic Hydrocarbons having Benzene Ring
• Mol File: 16967-02-5.mol
• Article Data: 123

Chemical Properties

• Boiling Point: 277.8°Cat760mmHg
• Flash Point: 117.8°C
• Appearance: /
• Density: 0.90
• Vapor Pressure: 0.0075mmHg at 25°C
• Refractive Index: 1.515
• CAS DataBase Reference: 1-PHENYL-1-OCTYNE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYL-1-OCTYNE(16967-02-5)
• EPA Substance Registry System: 1-PHENYL-1-OCTYNE(16967-02-5)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 16967-02-5(Hazardous Substances Data)

Usage

General Description

1-Phenyl-1-octyne, also known as oct-1-yne-1-phenyl, is a chemical compound with the formula C8H7C≡CH. It is a yellowish liquid that is insoluble in water but soluble in organic solvents. 1-PHENYL-1-OCTYNE is primarily used in research and laboratory settings as a reagent in organic synthesis and as a building block for the production of other organic compounds. It has also been studied for its potential as a component in the development of pharmaceuticals and agrochemicals. However, it is important to handle this chemical with care as it is flammable and can cause skin and eye irritation upon contact.

InChI:InChI=1/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6H2,1H3

Upstream product

• 932-87-6 1-Bromo-2-phenylacetylene 
• 591-50-4 iodobenzene 
• 137595-18-7 1-octynylzinc bromide 
• 629-05-0 n-octyne 
• 66003-78-9 triphenylsulfonium trifluoromethanesulfonate 
• 945-51-7 1,1'-sulfinylbisbenzene 
• 79887-11-9 4-hexylphenylacetylene 
• 603-33-8 triphenylbismuthane 
• 3761-92-0 n-hexylmagnesium bromide 
• 108-86-1 bromobenzene 
• 68113-72-4 1-octynylzinc chloride 
• 15719-55-8 trimethyl(oct-1-yn-1-yl)silane 
• 81438-46-2 1-iodooct-1-yne 
• 98-80-6 phenylboronic acid 

Downstream Products

• 42036-72-6 (Z)-oct-1-enylbenzene 
• 6691-72-1 n-Hexyl-benzyl-ketazin 
• 125642-04-8 (E)-1,4-diphenyl-4-undecen-3-ol 
• 125642-05-9 (E)-1,5-diphenyl-2-hexyl-1-penten-3-ol 
• 745828-36-8 (E)-1-phenyl-1-tributylstannyl-1-octene 
• 1243000-70-5 (E)-2-(4-methylphenyl)methyl-1-phenyl-1-octene 
• 1243000-72-7 (E)-2-(4-fluorophenyl)methyl-1-phenyl-1-octene 
• 1243000-74-9 (E)-2-(4-methoxyphenyl)methyl-1-phenyl-1-octene 
• 1313609-84-5 C₂₂H₂₈ 
• 1243000-76-1 (E)-2-(2-methylphenyl)methyl-1-phenyl-1-octene 

Relevant articles and documents

Highly satisfactory procedures for the Pd-catalyzed cross coupling of aryl electrophiles with in situ generated alkynylzinc derivatives.

[reaction: see text] Two new and very efficient procedures (Procedures A and B) are reported for the Pd-catalyzed cross coupling of aryl electrophiles with terminal alkynes via their in situ conversion into alkynylzinc derivatives. Procedure A is particul

Nickel-catalyzed oxidative coupling of alkynes and arylboronic acids using the metal-organic framework Ni2(BDC)2(DABCO) as an efficient heterogeneous catalyst

A crystalline porous metal-organic framework Ni2(BDC) 2(DABCO) was synthesized and characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), Fourier transform infrared (FT-IR), atomic absorption spectrophotometry (AAS), and nitrogen physisorption measurements. Ni2(BDC)2(DABCO) could be used as an efficient and recyclable heterogeneous catalyst for the cross-coupling reaction between phenylboronic acids and phenylacetylenes in the presence of molecular oxygen in air as the stoichiometric oxidant. High conversions of the cross-coupling products were achieved with no homo-coupling products being detected by GC. Ni2(BDC)2(DABCO) exhibited significantly higher catalytic activity in the coupling reaction than that of other Ni-MOFs such as Ni3(BTC)2 and Ni(HBTC)(BPY). Zn 2(BDC)2(DABCO) and Co2(BDC)2(DABCO) were found to be completely inactive for the transformation, while the reaction using Cu2(BDC)2(DABCO) as the catalyst led to the formation of a 10% homo-coupling product. To the best of our knowledge, a nickel-based catalyst was not previously used for the oxidative coupling reactions between phenylacetylenes and phenylboronic acids. the Partner Organisations 2014.

Perfluorinated phosphine and hybrid P-O ligands for Pd catalysed C-C bond forming reactions in solution and on Teflon supports

The synthesis of two types of phosphine ligands that feature perfluorinated ponytails is reported. A bidentate (RfCH2CH2)2PCH2CH2P(CH2CH2Rf)2 (Rf = CF3(CFs

Versatile and an efficient Sonogashira coupling reaction catalyzed with modified Pd-functionalized TMU-16 as a novel and reusable nanocatalyst

This research paper, reports the preparation of palladium impregnated [Zn2(BDC)2(4-bpdh)]3DMF (Pd@TMU-16) with a simple liquid impregnation-reduction method as a novel and efficient catalyst with the high catalytic performance for co

Iodonium Cation-Pool Electrolysis for the Three-Component Synthesis of 1,3-Oxazoles

The synthesis of 1,3-oxazoles from symmetrical and unsymmetrical alkynes was realized by an iodonium cation-pool electrolysis of I2 in acetonitrile with a well-defined water content. Mechanistic investigations suggest that the alkyne reacts with the acetonitrile-stabilized I+ ions, followed by a Ritter-type reaction of the solvent to a nitrilium ion, which is then attacked by water. The ring closure to the 1,3-oxazoles released molecular iodine, which was visible by the naked eye. Also, some unsymmetrical internal alkynes were tested and a regioselective formation of a single isomer was determined by two-dimensional NMR experiments.