1,5-Naphthalenebis(trifluoromethanesulfonate)

Base Information

• Chemical Name: 1,5-Naphthalenebis(trifluoromethanesulfonate)
• CAS No.: 152873-79-5
• Molecular Formula: C12H6F6O6S2
• Molecular Weight: 424.298
• European Community (EC) Number: 805-885-4
• DSSTox Substance ID: DTXSID80566376
• Wikidata: Q82451963
• Mol file: 152873-79-5.mol

Synonyms:1,5-Naphthalenebis(trifluoromethanesulfonate);152873-79-5;MFCD23380211;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate;Naphthalene-1,5-diyl bis(trifluoromethanesulfonate);1,5-Naphthaleneditriflate;SCHEMBL203899;DTXSID80566376;SY056096;CS-0155709;N0925;1,5-bis(trifluoromethylsulfonyloxy)naphthalene;D80656;5-{[(trifluoromethyl) sulfonyl]oxy}naphthyl trifluoromethanesulfonate;5-{[(trifluoromethyl)sulfonyl]oxy}naphthyl trifluoromethanesulfonate;Trifluoro-methanesulfonic acid 5-trifluoromethanesulfonyloxy-naphthalen-1-yl ester

Chemical Property of 1,5-Naphthalenebis(trifluoromethanesulfonate)

Chemical Property:

• Melting Point: 113.0 to 117.0 °C
• Boiling Point: 444.6±45.0 °C(Predicted)
• PSA: 103.50000
• Density: 1.721±0.06 g/cm3(Predicted)
• LogP: 5.45820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 423.95099923
• Heavy Atom Count: 26
• Complexity: 641

Purity/Quality:

97% ^*data from raw suppliers

1,5-Naphthalenebis(trifluoromethanesulfonate) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC=C2OS(=O)(=O)C(F)(F)F)C(=C1)OS(=O)(=O)C(F)(F)F

Technology Process of 1,5-Naphthalenebis(trifluoromethanesulfonate)

There total 1 articles about 1,5-Naphthalenebis(trifluoromethanesulfonate) 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: 98.0%

trifluoromethylsulfonic anhydride (358-23-6) + 1,5-dihydroxynaphthalene (83-56-7) → naphthalene-1,5-diyl bis(trifluoromethanesulfonate) (152873-79-5)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.202011368

Reference yield: 74.0%

(2-(phenylethynyl)phenyl)boronic acid (124160-41-4) + naphthalene-1,5-diyl bis(trifluoromethanesulfonate) (152873-79-5) → 1,5-bis(2-(phenylethynyl)phenyl)naphthalene

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,4-dioxane; water; at 95 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201901021

Reference yield: 72.3%

(10-phenyl(d5)anthracene-9-yl)boronic acid + naphthalene-1,5-diyl bis(trifluoromethanesulfonate) (152873-79-5) → C31H14(2)H5F3O3S

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; at 60 ℃; for 1h;

upstream raw materials:

trifluoromethylsulfonic anhydride

1,5-dihydroxynaphthalene

Downstream raw materials:

(E,E)-1,5-Bis(2-phenylethenyl)naphthalin

2,2'-(naphthalene-1,5-diyl)dibenzaldehyde

3,4,13,14-Tetraphenylheptacyclo<14.4.4.4^6,11.0^2,5.0^7,28.0^12,15.0^17,21>-octacosa-1(20),6(25),7(28),8,10,16(24),17(21),18,22,26-decaen

1,5-dimethylnaphthalene