(2,4-Difluorophenylethynyl)trimethylsilane

Base Information

• Chemical Name: (2,4-Difluorophenylethynyl)trimethylsilane
• CAS No.: 480438-92-4
• Molecular Formula: C11H12F2Si
• Molecular Weight: 210.299
• DSSTox Substance ID: DTXSID40400409
• Nikkaji Number: J3.023.566E
• Mol file: 480438-92-4.mol

Synonyms:480438-92-4;(2,4-Difluorophenylethynyl)trimethylsilane;2-(2,4-difluorophenyl)ethynyl-trimethylsilane;((2,4-Difluorophenyl)ethynyl)trimethylsilane;[2-(2,4-difluorophenyl)ethynyl]trimethylsilane;SCHEMBL6364007;DTXSID40400409;AKOS015913285;(2,4-Difluorophenylethynyl)trimethylsil;CS-0238568;EN300-197627;(2,4-Difluorophenylethynyl)trimethylsilane, 96%;1-[(Trimethylsilyl)ethynyl]-2,4-difluorobenzene

Chemical Property of (2,4-Difluorophenylethynyl)trimethylsilane

Chemical Property:

• Vapor Pressure: 0.493mmHg at 25°C
• Refractive Index: n20/D 1.4960(lit.)
• Boiling Point: 85oC0.1 mm Hg(lit.)
• Flash Point: 195 °F
• PSA: 0.00000
• Density: 1.005 g/mL at 25oC(lit.)
• LogP: 3.19370
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 210.06763324
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

98% ^*data from raw suppliers

[2-(2,4-Difluorophenyl)ethynyl]trimethylsilane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[Si](C)(C)C#CC1=C(C=C(C=C1)F)F

Technology Process of (2,4-Difluorophenylethynyl)trimethylsilane

There total 4 articles about (2,4-Difluorophenylethynyl)trimethylsilane 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: 95.0%

2,4-difluorobromobenzene (348-57-2) + trimethylsilylacetylene (1066-54-2) → [(2,4-difluorophenyl)ethynyl]trimethylsilane (480438-92-4)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; for 24h; Inert atmosphere; Reflux;

DOI:10.1055/s-0030-1260256

Reference yield: 81.0%

trimethylsilylacetylene (1066-54-2) → [(2,4-difluorophenyl)ethynyl]trimethylsilane (480438-92-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine; at 20 ℃;

DOI:10.1021/acs.orglett.9b03999

Reference yield:

N,N-diethyl-1,1,1-trimethylsilanamine (996-50-9) + 2,4-difluoroethynylbenzene (302912-34-1) → [(2,4-difluorophenyl)ethynyl]trimethylsilane (480438-92-4)

Guidance literature:

With zinc(II) chloride; In 1,2-dichloro-ethane; at 150 ℃; for 0.25h; microwave irradiation;

DOI:10.1021/ol0618252

upstream raw materials:

N,N-diethyl-1,1,1-trimethylsilanamine

2,4-difluoroethynylbenzene

2,4-difluorobromobenzene

trimethylsilylacetylene

Downstream raw materials:

Acetic acid (2R,3S,6S)-2-acetoxymethyl-6-(2,4-difluoro-phenylethynyl)-3,6-dihydro-2H-pyran-3-yl ester

1,3,5-tris{[4-(2,4-difluorophenyl)-1H-1,2,3-triazol-1-yl]methyl}benzene

4-(1-(2,4-difluorophenyl))-1-benzyl-1,2,3-triazole

2,4-difluoroethynylbenzene