3-FLUOROPHENYLACETYLENE

Base Information

• Chemical Name: 3-FLUOROPHENYLACETYLENE
• CAS No.: 2561-17-3
• Molecular Formula: C8H5F
• Molecular Weight: 120.126
• Hs Code.: 2903999090
• Mol file: 2561-17-3.mol

Synonyms:(3-Fluorophenyl)ethyne;(m-Fluorophenyl)acetylene;1-Ethynyl-3-fluorobenzene;3-Fluoroethynylbenzene;3-Fluorophenylacetylene;

Chemical Property of 3-FLUOROPHENYLACETYLENE

Chemical Property:

• Vapor Pressure: 5.3mmHg at 25°C
• Refractive Index: n20/D 1.5170(lit.)
• Boiling Point: 148.7 °C at 760 mmHg
• Flash Point: 26.2 °C
• PSA: 0.00000
• Density: 1.06 g/cm³
• LogP: 1.80700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98% min ^*data from raw suppliers

3-Fluorophenylacetylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediates of Liquid Crystals

Technology Process of 3-FLUOROPHENYLACETYLENE

There total 15 articles about 3-FLUOROPHENYLACETYLENE 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: 90.0%

((3-fluorophenyl)-ethynyl)trimethylsilane (40230-96-4) → 1-ethynyl-3-fluoro-benzene (2561-17-3)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.202015322

Reference yield: 84.0%

m-(2,2-dichloro-1-fluoroethenyl)fluorobenzene (118527-32-5) → 1-ethynyl-3-fluoro-benzene (2561-17-3)

Guidance literature:

With n-butyllithium; In diethyl ether;

DOI:10.1246/bcsj.61.1625

Reference yield:

3-fluorobromobenzene (1073-06-9) → 1-ethynyl-3-fluoro-benzene (2561-17-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / magnesium / diethyl ether / 18 h / Heating

2: 84 percent / butyllithium / diethyl ether

With n-butyllithium; magnesium; In diethyl ether;

DOI:10.1246/bcsj.61.1625

upstream raw materials:

((3-fluorophenyl)-ethynyl)trimethylsilane

m-(2,2-dichloro-1-fluoroethenyl)fluorobenzene

2-Brom-1-(3-fluor-phenyl)-ethylen

(Z)-1-(2-bromovinyl)-3-fluorobenzene

Downstream raw materials:

8-(S)-acenaphthen-1-yl-1-(4-fluoro-phenyl)-3-{3-[4-(3-fluoro-phenyl)[1,2,3]triazol-1-yl]-propyl}-1,3,8-triaza-spiro[4.5]decan-4-one

1-(methoxymethoxy)-2-[(3-fluorophenyl)ethynyl]benzene

C₁₅H₉BrFNO

[(η2-1,2-bis(diphenylphosphino)ethane)(η5-C5Me5)FeCC(1,3-(C6H4)F)]

Refernces

• 1、 Xue, Fei,Deng, Hongping,Xue, Chengwen,Mohamed, Dara Khairunnisa Binte,Tang, Karen Yuanting,Wu, Jie. "Reaction discovery using acetylene gas as the chemical feedstock accelerated by the stop-flow micro-tubing reactor system". . p. 3623 - 3627. Retrieved 2017/07/11.
• 2、 Li, Jing,Zhang, Jing,Tan, Haibo,Wang, David Zhigang. "Visible-Light-Promoted Vinylation of Tetrahydrofuran with Alkynes through Direct C-H Bond Functionalization". supporting information. p. 2522 - 2525. Retrieved 2015/05/27.