Methanone, [4-(phenylmethoxy)phenyl][4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]-

Base Information

• Chemical Name: Methanone, [4-(phenylmethoxy)phenyl][4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]-
• CAS No.: 1028310-31-7
• Molecular Formula: C₂₇H₁₅F₇O₃
• Molecular Weight: 520.403
• DSSTox Substance ID: DTXSID501117158
• Mol file: 1028310-31-7.mol

Synonyms:DTXSID501117158;1028310-31-7;Methanone, [4-(phenylmethoxy)phenyl][4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]-

Chemical Property of Methanone, [4-(phenylmethoxy)phenyl][4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]-

Chemical Property:

• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 520.09094147
• Heavy Atom Count: 37
• Complexity: 712

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=C(C(=C(C(=C4F)F)C(F)(F)F)F)F

Technology Process of Methanone, [4-(phenylmethoxy)phenyl][4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]-

There total 3 articles about Methanone, [4-(phenylmethoxy)phenyl][4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]- 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: 87.0%

perfluorotoluene (434-64-0) + 4-hydroxy-4'-benzyloxybenzophenone (94972-95-9) → 4-benzyloxy-4'-[(p-perfluorotolyl)oxy]benzophenone (1028310-31-7)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; at 20 ℃;

DOI:10.1021/jo0255328

Reference yield:

4,4'-Dihydroxybenzophenone (611-99-4) → 4-benzyloxy-4'-[(p-perfluorotolyl)oxy]benzophenone (1028310-31-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / K₂CO₃ / dimethylformamide / 48 h / 60 °C

2: 87 percent / tetrabutylammonuim hydrogen sulfate; sodium hidroxide / CH₂Cl₂ / 20 °C

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jo0255328

Reference yield:

benzyl bromide (100-39-0) → 4-benzyloxy-4'-[(p-perfluorotolyl)oxy]benzophenone (1028310-31-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / K₂CO₃ / dimethylformamide / 48 h / 60 °C

2: 87 percent / tetrabutylammonuim hydrogen sulfate; sodium hidroxide / CH₂Cl₂ / 20 °C

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jo0255328

upstream raw materials:

perfluorotoluene

4-hydroxy-4'-benzyloxybenzophenone

4,4'-Dihydroxybenzophenone

benzyl bromide

Downstream raw materials:

(Z)-2-[4-[1-(4-(benzyloxy)phenyl)-2-phenyl-1-butenyl]phenoxy]acetic acid benzyl ester

(E)-1-[4-(benzyloxy)phenyl]-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenylbut-1-ene

(E)-1-[4-(benzyloxy)phenyl]-1-(4-hydroxyphenyl)-2-phenylbut-1-ene

(Z)-2-[4-[1-(p-hydroxyphenyl)-2-phenyl-1-butenyl]phenoxy]acetic acid