4,4'-Dimethoxyoctafluorobiphenyl

Base Information

• Chemical Name: 4,4'-Dimethoxyoctafluorobiphenyl
• CAS No.: 2200-71-7
• Molecular Formula: C14H6 F8 O2
• Molecular Weight: 358.188
• Hs Code.: 2909309090
• European Community (EC) Number: 630-738-4
• NSC Number: 97033
• DSSTox Substance ID: DTXSID70294550
• Nikkaji Number: J308.045E
• Wikidata: Q72497136
• Mol file: 2200-71-7.mol

Synonyms:4,4'-dimethoxyoctafluorobiphenyl

Chemical Property of 4,4'-Dimethoxyoctafluorobiphenyl

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 86-88 °C(lit.)
• Boiling Point: 280.9°Cat760mmHg
• Flash Point: 131.1°C
• PSA: 18.46000
• Density: 1.515g/cm³
• LogP: 4.48360
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 358.02400473
• Heavy Atom Count: 24
• Complexity: 360

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4''-Dimethoxyoctafluorobiphenyl ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)OC)F)F)F)F
• Uses: 4,4’-dimethoxyoctafluorobiphenyl was employed to analyze the relationship between intramolecular rotational dynamics and molecular and crystal structure by NMR spin-lattice relaxation experiments. It was also used to investigate thermal decomposition of polyfluorobenzoatobis(polyfluorophenyl)thallium(III) compounds.

Technology Process of 4,4'-Dimethoxyoctafluorobiphenyl

There total 6 articles about 4,4'-Dimethoxyoctafluorobiphenyl 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: 73.0%

3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (58-08-2,138455-22-8,95789-13-2) + 2,3,5,6-tetrafluoroanisole (2324-98-3) → 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dimethoxy-1,1'-biphenyl (2200-71-7) + 1,3,7-trimethyl-8-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1H-purine-2,6(3H,7H)-dione (1322575-34-7)

Guidance literature:

With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline; iodine; lithium tert-butoxide; In 1,4-dioxane; at 120 ℃; for 7h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja2047717

Reference yield: 69.0%

2,3,5,6-tetrafluoroanisole (2324-98-3) + 3-chloro-5-fluoro-pyridine (514797-99-0) → 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dimethoxy-1,1'-biphenyl (2200-71-7) + 3-chloro-5-fluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)pyridine (1322575-18-7)

Guidance literature:

With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline; iodine; lithium tert-butoxide; In 1,4-dioxane; at 115 ℃; for 6h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja2047717

Reference yield: 56.0%

2,3,5,6-tetrafluoroanisole (2324-98-3) + trifluoroacetic acid (76-05-1) → 2,3,5,6,-tetrafluoro-4-methoxyphenol (14753-97-0) + 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dimethoxy-1,1'-biphenyl (2200-71-7)

Guidance literature:

2,3,5,6-tetrafluoroanisole; With oxygen; copper dichloride; lithium tert-butoxide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

trifluoroacetic acid; In ethyl acetate;

DOI:10.1021/ja907479j

upstream raw materials:

2,3,5,6-tetrafluoroanisole

trifluoroacetic acid

3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

3-chloro-5-fluoro-pyridine

Refernces

• 1、 Do, Hien-Quang,Daugulis, Olafs. "A general method for copper-catalyzed arene cross-dimerization". supporting information; experimental part. p. 13577 - 13586. Retrieved 2011/10/10.
• 2、 Do, Hien-Quang,Daugulis, Olafs. "An aromatic glaser-hay reaction". supporting information; experimental part. p. 17052 - 17053. Retrieved 2010/03/25.