1-PHENYL-1-OCTYNE

Base Information

• Chemical Name: 1-PHENYL-1-OCTYNE
• CAS No.: 16967-02-5
• Molecular Formula: C14H18
• Molecular Weight: 186.297
• Hs Code.: 2902909090
• Mol file: 16967-02-5.mol

Synonyms:1-Octyne,1-phenyl- (8CI); Benzene, 1-octynyl- (9CI); 1-Hexyl-2-phenylacetylene;1-Octynylbenzene; 1-Phenyl-1-octyne; Oct-1-yn-1-ylbenzene

Chemical Property of 1-PHENYL-1-OCTYNE

Chemical Property:

• Vapor Pressure: 0.0075mmHg at 25°C
• Boiling Point: 277.8°Cat760mmHg
• Flash Point: 117.8°C
• PSA: 0.00000
• Density: 0.9g/cm³
• LogP: 4.00850

Purity/Quality:

99% ^*data from raw suppliers

1-PHENYL-1-OCTYNE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-PHENYL-1-OCTYNE

There total 52 articles about 1-PHENYL-1-OCTYNE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

iodobenzene (591-50-4) + n-octyne (629-05-0) → 1-phenyl-1-octyne (16967-02-5)

Guidance literature:

With copper(l) iodide; bis(benzonitrile)palladium(II) dichloride; henicosafluorodecyldiphenylphosphine; triethylamine; at 20 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201207383

Reference yield: 96.0%

bromobenzene (108-86-1,52753-63-6) + n-octyne (629-05-0) → 1-phenyl-1-octyne (16967-02-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 90 ℃; for 8h; Ionic liquid;

DOI:10.1246/cl.2011.1027

Reference yield: 93.0%

n-octyne (629-05-0) + chlorobenzene (108-90-7) → 1-phenyl-1-octyne (16967-02-5)

Guidance literature:

With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; caesium carbonate; In dimethyl sulfoxide; at 100 ℃; for 12h;

DOI:10.1021/jo0525175

upstream raw materials:

4-methylbenzenesulfonic acid n-hexylester

Bis(phenylethynyl)magnesium

(8-Iodo-oct-1-ynyl)-benzene

1-Iodohexane

Downstream raw materials:

(E)-N-phenyl-2-hexyl-3-phenyl-2-propenamide

(E)-N-phenyl-2-phenyl-2-nonenamide

1-phenyl-1-octyn-3-one

(E)-1-phenyl-1-trimethylstannyl-1-octene

Refernces

• 1、 de Lima, Paulo Galdino,Antunes. "Copper-free Sonogashira cross coupling in ionic liquids". . p. 2506 - 2509. Retrieved 2008.
• 2、 Fukuyama, Takahide,Rahman, Taifur,Maetani, Shinji,Ryu, Ilhyong. "Copper-free sonogashira coupling reaction in phosphonium amino acid ionic liquids". . p. 1027 - 1029. Retrieved 2011.
• 3、 Alinezhad, Heshmatollah,Ghasemi, Shahram,Kiani, Ameneh. "Versatile and an efficient Sonogashira coupling reaction catalyzed with modified Pd-functionalized TMU-16 as a novel and reusable nanocatalyst". . . Retrieved 2021/07/24.
• 4、 Shafiei, Nasrin,Nasrollahzadeh, Mahmoud,Baran, Talat,Baran, Nuray Y?lmaz,Shokouhimehr, Mohammadreza. "Pd nanoparticles loaded on modified chitosan-Unye bentonite microcapsules: A reusable nanocatalyst for Sonogashira coupling reaction". . . Retrieved 2021/03/17.