1,1'-(Buta-1,3-diyne-1,4-diyl)bis(pentafluorobenzene)

Base Information

• Chemical Name: 1,1'-(Buta-1,3-diyne-1,4-diyl)bis(pentafluorobenzene)
• CAS No.: 18320-79-1
• Molecular Formula: C16F10
• Molecular Weight: 382.16
• DSSTox Substance ID: DTXSID80562757
• Nikkaji Number: J1.953.043D
• Wikidata: Q82447027
• Mol file: 18320-79-1.mol

Synonyms:18320-79-1;DTXSID80562757;1,4-bis(pentafluorophenyl)butadiyne;1,4-Bis(perfluorophenyl)buta-1,3-diyne;1,1'-(Buta-1,3-diyne-1,4-diyl)bis(pentafluorobenzene)

Chemical Property of 1,1'-(Buta-1,3-diyne-1,4-diyl)bis(pentafluorobenzene)

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 381.98403162
• Heavy Atom Count: 26
• Complexity: 552

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#CC1=C(C(=C(C(=C1F)F)F)F)F)C#CC2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of 1,1'-(Buta-1,3-diyne-1,4-diyl)bis(pentafluorobenzene)

There total 9 articles about 1,1'-(Buta-1,3-diyne-1,4-diyl)bis(pentafluorobenzene) 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%

2,3,4,5,6-pentafluorophenylacetylene (5122-07-6) → 1,4-[bis(pentafluorophenyl)]-1,3-butadiyne (18320-79-1)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; oxygen; copper(l) chloride; In acetone; for 3.5h; Ambient temperature;

DOI:10.1016/S0022-1139(00)80307-3

Reference yield:

3-(Pentafluorphenyl)-prop-2-inol (61794-45-4) → 1,4-[bis(pentafluorophenyl)]-1,3-butadiyne (18320-79-1)

Guidance literature:

With nickel(IV) oxide; In benzene; Heating;

DOI:10.1016/0040-4020(76)85181-2

Reference yield:

1,2,3,4,5-pentafluoro-6-iodobenzene (827-15-6) → 1,4-[bis(pentafluorophenyl)]-1,3-butadiyne (18320-79-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) CuI, aq. NH₃, EtOH, (ii) /BRN= 2051549/, Py, (iii) H₂SO₄, MeOH

2: NiO₂ / benzene / Heating

With nickel(IV) oxide; In benzene;

DOI:10.1016/0040-4020(76)85181-2

upstream raw materials:

2,3,4,5,6-pentafluorophenylacetylene

3-(Pentafluorphenyl)-prop-2-inol

((trimethylsilyl)ethynyl)pentafluorobenzene

bromopentafluorobenzene

Downstream raw materials:

C₂₆H₂₀F₈N₂

C₁₈H₆F₈O₂

C₅₈H₄₂F₄O₆

C₅₂H₂₄Br₆F₄O₆