3,4-DIFLUOROPHENYLACETYLENE

Base Information

• Chemical Name: 3,4-DIFLUOROPHENYLACETYLENE
• CAS No.: 143874-13-9
• Molecular Formula: C8H4F2
• Molecular Weight: 138.117
• Hs Code.: 2903999090
• Mol file: 143874-13-9.mol

Synonyms:3,4-Difluoro-1-ethynylbenzene;3,4-Difluorophenylacetylene;4-Ethynyl-1,2-difluorobenzene;

Chemical Property of 3,4-DIFLUOROPHENYLACETYLENE

Chemical Property:

• Vapor Pressure: 5.998mmHg at 25°C
• Refractive Index: 1.4902
• Boiling Point: 145.917 °C at 760 mmHg
• Flash Point: 31.4 °C
• PSA: 0.00000
• Density: 1.17 g/cm³
• LogP: 1.94610
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99.5% ^*data from raw suppliers

3,4-Difluorophenylacetylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3,4-DIFLUOROPHENYLACETYLENE is a fundamental building block used in organic synthesis for the preparation of metalated and metal-free tetraalkynyl-substituted phthalocyanines, and 3,5-substituted enones etc. A fundamental building block used in organic synthesis for the preparation of metalated and metal-free tetraalkynyl-substituted phthalocyanines, and 3,5-substituted enones etc.

Technology Process of 3,4-DIFLUOROPHENYLACETYLENE

There total 4 articles about 3,4-DIFLUOROPHENYLACETYLENE 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: 76.0%

[2-(3,4-difluorophenyl)ethynyl]trimethylsilane (866683-38-7) → 4-ethynyl-1,2-difluorobenzene (143874-13-9)

Guidance literature:

With potassium carbonate; In ethanol; at 20 ℃; for 16h;

Reference yield:

3,4-Difluoro-β,β'-dibromostyrene (159957-01-4) → 4-ethynyl-1,2-difluorobenzene (143874-13-9)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00630

Reference yield:

1-bromo-3,4-difluorobenzene (348-61-8) → 4-ethynyl-1,2-difluorobenzene (143874-13-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / tetrahydrofuran / 16 h / 20 °C / Inert atmosphere

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran;

upstream raw materials:

[2-(3,4-difluorophenyl)ethynyl]trimethylsilane

1-bromo-3,4-difluorobenzene

3,4-Difluoro-β,β'-dibromostyrene

3,4 difluorobenzaldehyde

Downstream raw materials:

1-(3,4-difluorophenyl)-2-[4-(1-trans-pentenyl)phenyl]acetylene

C₁₆H₆F₄

5-(3,4-difluorobenzyl)-3-(3,4-difluorophenyl)isoxazole

(R)-3-(4-(3,4-difluorophenyl)-1H-1,2,3-triazol-1-yl) quinuclidine

Refernces

• 1、 -. "METALLOENZYME INHIBITOR COMPOUNDS". Page/Page column 80. . Retrieved 2013/07/05.