Disodium 4-[1,1,1,3,3,3-hexafluoro-2-(4-oxidophenyl)propan-2-yl]phenolate

Base Information

• Chemical Name: Disodium 4-[1,1,1,3,3,3-hexafluoro-2-(4-oxidophenyl)propan-2-yl]phenolate
• CAS No.: 74938-83-3
• Molecular Formula: C15H10 F6 O2 . 2 Na
• Molecular Weight: 380.19
• Hs Code.: 2908190090
• DSSTox Substance ID: DTXSID00421938
• Nikkaji Number: J23.073A
• Mol file: 74938-83-3.mol

Synonyms:74938-83-3;BIS-AF-Sodium salt;Disodium 4-[1,1,1,3,3,3-hexafluoro-2-(4-oxidophenyl)propan-2-yl]phenolate;2,2-Bis(4-hydroxyphenyl)hexafluoropropane, disodium salt;disodium;4-[1,1,1,3,3,3-hexafluoro-2-(4-oxidophenyl)propan-2-yl]phenolate;Sodium 4,4'-(perfluoropropane-2,2-diyl)diphenolate;2,2-Bis(4-hydroxyphenyl)hexafluoropropane,disodium salt;DTXSID00421938;MGMXQPALCMNDKC-UHFFFAOYSA-L;MFCD04038262;AKOS025310456;A838277;Sodium4,4'-(perfluoropropane-2,2-diyl)diphenolate;2,2-Bis(4-hydroxyphenyl)hexafluoropropane disodium salt;Disodium 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenolate;disodium 4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(4-oxidanidylphenyl)propan-2-yl]phenolate;Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-, sodium salt (1:2)

Chemical Property of Disodium 4-[1,1,1,3,3,3-hexafluoro-2-(4-oxidophenyl)propan-2-yl]phenolate

Chemical Property:

• Boiling Point: 344.1oC at 760 mmHg
• Flash Point: 161.9oC
• PSA: 46.12000
• LogP: 5.38490
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 380.02238703
• Heavy Atom Count: 25
• Complexity: 352

Purity/Quality:

97% ^*data from raw suppliers

2,2-Bis(4-hydroxyphenyl)hexafluoropropane, disodium salt 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)[O-])(C(F)(F)F)C(F)(F)F)[O-].[Na+].[Na+]

Technology Process of Disodium 4-[1,1,1,3,3,3-hexafluoro-2-(4-oxidophenyl)propan-2-yl]phenolate

There total 1 articles about Disodium 4-[1,1,1,3,3,3-hexafluoro-2-(4-oxidophenyl)propan-2-yl]phenolate 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: 97.0%

4,4'-(hexafluoroisopropylidene)diphenol (1478-61-1) → 4,4'-(hexafluoroisopropylidene)diphenol disodium salt (74938-83-3)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.5h; Reflux;

DOI:10.1002/anie.202116158

Reference yield: 89.0%

4,4'-(hexafluoroisopropylidene)diphenol disodium salt (74938-83-3) + allyl bromide (106-95-6) → 2,2-bis(4-allyloxyphenyl)hexafluoropropane (82986-78-5)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1016/j.jfluchem.2005.06.006

Reference yield:

polytetrafluoroethylene (116-14-3,82785-14-6) + carbon dioxide (124-38-9,18923-20-1) + 4,4'-(hexafluoroisopropylidene)diphenol disodium salt (74938-83-3) + dimethyl sulfate (77-78-1) → 2,2,3,3-Tetrafluoro-3-(4-{2,2,2-trifluoro-1-[4-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-1-trifluoromethyl-ethyl}-phenoxy)-propionic acid methyl ester + Dimethyl 3,3'-<<2,2,2-trifluoro-1-(trifluoromethyl)ethylidene>bis(4,1-phenyleneoxy)>bis(2,2,3,3-tetafluoropropionate) (131043-09-9)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given; 1) DMSO, warming, (400 psi) 2) r.t.;

DOI:10.1021/jo00001a030

upstream raw materials:

4,4'-(hexafluoroisopropylidene)diphenol

Downstream raw materials:

Dimethyl 3,3'-<<2,2,2-trifluoro-1-(trifluoromethyl)ethylidene>bis(4,1-phenyleneoxy)>bis(2,2,3,3-tetafluoropropionate)

2,2-bis(4-allyloxyphenyl)hexafluoropropane

2,2-bis(3-allyl-4-hydroxyphenyl)hexafluoropropane