1,2-Bis(4-(trifluoromethyl)phenyl)ethyne

Base Information

• Chemical Name: 1,2-Bis(4-(trifluoromethyl)phenyl)ethyne
• CAS No.: 119757-51-6
• Molecular Formula: C16H8F6
• Molecular Weight: 314.23
• DSSTox Substance ID: DTXSID90457741
• Nikkaji Number: J1.427.171F
• Mol file: 119757-51-6.mol

Synonyms:119757-51-6;1,2-Bis(4-(trifluoromethyl)phenyl)ethyne;Benzene, 1,1'-(1,2-ethynediyl)bis[4-(trifluoromethyl)-;1-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene;1,1'-(1,2-ETHYNEDIYL)BIS[4-(TRIFLUOROMETHYL)BENZENE];SCHEMBL14998069;DTXSID90457741;FRYNVLNXFPVXQT-UHFFFAOYSA-N;Bis[4-(trifluoromethyl)phenyl]ethyne;AKOS040768584;BS-47693;E84768

Chemical Property of 1,2-Bis(4-(trifluoromethyl)phenyl)ethyne

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 314.05301923
• Heavy Atom Count: 22
• Complexity: 381

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

Technology Process of 1,2-Bis(4-(trifluoromethyl)phenyl)ethyne

There total 30 articles about 1,2-Bis(4-(trifluoromethyl)phenyl)ethyne 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%

4-Iodobenzotrifluoride (455-13-0) + 4-trifluoromethylphenylacetylene (705-31-7) → 1,2-bis(4-(trifluoromethyl)phenyl)ethyne (119757-51-6)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In tetrahydrofuran; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01258

Reference yield: 96.0%

4-Iodobenzotrifluoride (455-13-0) + calcium carbide (75-20-7) → 1,2-bis(4-(trifluoromethyl)phenyl)ethyne (119757-51-6)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; water; triethylamine; In tetrahydrofuran; at 55 ℃; for 20h;

DOI:10.1021/acs.orglett.5b00827

Reference yield: 95.0%

1-(prop-1-ynyl)-4-trifluoromethylbenzene (79756-87-9) → 1,2-bis(4-(trifluoromethyl)phenyl)ethyne (119757-51-6)

Guidance literature:

With Mo(OSi(C₆H₅)3)3(C₁₂H₈N₂)(CC₆H₅); manganese(ll) chloride; In toluene; at 20 ℃; for 3h; Molecular sieve; Inert atmosphere;

DOI:10.1021/ja104800w

upstream raw materials:

1-(prop-1-ynyl)-4-trifluoromethylbenzene

4-Iodobenzotrifluoride

4-trifluoromethylphenylacetylene

trimethylsilylacetylene

Downstream raw materials:

(Z)-1,2-bis(4-(trifluoromethyl)phenyl)ethene

(E)-1,2-bis(4-trifluoromethylphenyl)ethene

(η4-tetra(para-trifluoromethylphenyl)cyclobutadiene)(η5-carbomethoxycyclopentadienyl)cobalt

(η4-tetra(para-trifluoromethylphenyl)cyclobutadiene)(η5-cyclopentadienyl)cobalt