1-CHLORO-4-(PHENYLETHYNYL)BENZENE 98

Base Information

• Chemical Name: 1-CHLORO-4-(PHENYLETHYNYL)BENZENE 98
• CAS No.: 5172-02-1
• Molecular Formula: C14H9 Cl
• Molecular Weight: 212.678
• Hs Code.: 2903999090
• Mol file: 5172-02-1.mol

Synonyms:Acetylene,(p-chlorophenyl)phenyl- (6CI,7CI,8CI); Benzene, 1-chloro-4-(phenylethynyl)-(9CI); (4-Chlorophenyl)phenylacetylene; (4-Chlorophenylethynyl)benzene;(p-Chlorophenyl)phenylacetylene; 1-(4-Chlorophenyl)-2-phenylacetylene;1-Chloro-4-(phenylethynyl)benzene; 4-(Phenylethynyl)chlorobenzene; NSC 407575;p-Chlorodiphenylacetylene

Chemical Property of 1-CHLORO-4-(PHENYLETHYNYL)BENZENE 98

Chemical Property:

• Vapor Pressure: 0.000396mmHg at 25°C
• Melting Point: 81-83 °C(lit.)
• Boiling Point: 327°Cat760mmHg
• Flash Point: 146.4°C
• PSA: 0.00000
• Density: 1.19g/cm³
• LogP: 3.73980

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Chloro-4-(phenylethynyl)benzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 1-Chloro-4-(phenylethynyl)benzene may be used in the preparation of 1-(4-chlorophenyl)-4-methyl-2-phenylnaphthalene and 2-(4-chlorophenyl)-4-methyl-1-phenylnaphthalene as a 1:1 mixture.

Technology Process of 1-CHLORO-4-(PHENYLETHYNYL)BENZENE 98

There total 115 articles about 1-CHLORO-4-(PHENYLETHYNYL)BENZENE 98 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: 100.0%

1-Chloro-4-iodobenzene (637-87-6) + phenylacetylene (536-74-3) → 1-chloro-4-(2-phenylethynyl)benzene (5172-02-1)

Guidance literature:

With pyrrolidine; tetrabutylammomium bromide; PdCl₂ (dipyridin-2-yl)methylamine complex; In water; at 100 ℃; for 1h; under 750.075 Torr;

DOI:10.1002/anie.200700611

Reference yield: 99.0%

4-n-chlorophenylacetylene (873-73-4) + iodobenzene (591-50-4) → 1-chloro-4-(2-phenylethynyl)benzene (5172-02-1)

Guidance literature:

With (diphenylphosphin)ferrocene; gold(I) iodide; potassium carbonate; In toluene; at 130 ℃; for 24h;

DOI:10.1002/ejoc.200800765

Reference yield: 99.0%

1-Chloro-4-iodobenzene (637-87-6) + phenylpropyolic acid (637-44-5) → 1-chloro-4-(2-phenylethynyl)benzene (5172-02-1)

Guidance literature:

With copper(l) iodide; potassium carbonate; triphenylphosphine; In dimethyl sulfoxide; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c1ob05969f

upstream raw materials:

4'-chloro-2-phenylacetophenone

diethyl diazomethylphosphonate

4-chlorobenzophenone

copper(I) phenylacetylenide

Downstream raw materials:

2-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-one

2-Phenyl-6-chlor-indanon-⁽¹⁾

4-chlorobenzil

4-(4-chlorophenyl)-5-phenyl-1H(2H)-[1,2,3]triazole

Refernces

• 1、 Dziadas, M.,Trzeciak, A. M.,Wójcik, E.. "One-pot Sonogashira–Hydroarylation reaction catalyzed by anionic palladium complexes in an aqueous medium". supporting information. . Retrieved 2022/01/26.
• 2、 Cui, Hong,Bai, Jinku,Ai, Tianyu,Zhan, Ye,Li, Guanzhong,Rao, Honghua. "Selective Phosphoranation of Unactivated Alkynes with Phosphonium Cation to Achieve Isoquinoline Synthesis". supporting information. p. 4023 - 4028. Retrieved 2021/05/26.