(2,3,5,6-Tetrafluoro-4-methylphenyl)methanol

Base Information

• Chemical Name: (2,3,5,6-Tetrafluoro-4-methylphenyl)methanol
• CAS No.: 79538-03-7
• Molecular Formula: C8H6F4O
• Molecular Weight: 194.129
• Hs Code.: 2942000000
• European Community (EC) Number: 453-520-9,616-698-0
• DSSTox Substance ID: DTXSID50370164
• Nikkaji Number: J1.797.219G
• Wikidata: Q72505195
• Mol file: 79538-03-7.mol

Synonyms:79538-03-7;2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol;4-methyl-2,3,5,6-tetrafluorobenzyl alcohol;2,3,5,6-Tetrafluoro-4-methylbenzylalcohol;4-Methyl-2,3,5,6-tetrafluorobenzenemethanol;MFCD03093260;Benzenemethanol, 2,3,5,6-tetrafluoro-4-methyl-;4-methyl-2,3,5,6-tetrafluoro lbenzyl alcohol;2,3,5,6-(Tetrafluoro-4-methylphenyl)methanol;(2,3,5,6-Tetrafluoro-4-methylphenyl)methanol;Tefluthrin metabolite II;SCHEMBL359368;tetrafluoro-4-methylbenzylalcohol;DTXSID50370164;PJCSTULKVNHEGW-UHFFFAOYSA-N;AKOS005258017;AC-8277;AS-15858;SY018258;AM20041185;FT-0609416;2,3,5,6-Tetrafluoro-4-methylbenzenemethanol;EN300-7365703;A839708

Chemical Property of (2,3,5,6-Tetrafluoro-4-methylphenyl)methanol

Chemical Property:

• Appearance/Colour: white crystals
• Vapor Pressure: 0.189mmHg at 25°C
• Melting Point: 61-62 °C
• Refractive Index: 1.462
• Boiling Point: 201.367 °C at 760 mmHg
• PKA: 12.95±0.10(Predicted)
• Flash Point: 75.584 °C
• PSA: 20.23000
• Density: 1.424 g/cm³
• LogP: 2.04370
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 194.03547746
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

2,3,5,6-Tetrafluoro-4-methylbenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1F)F)CO)F)F

Technology Process of (2,3,5,6-Tetrafluoro-4-methylphenyl)methanol

There total 10 articles about (2,3,5,6-Tetrafluoro-4-methylphenyl)methanol 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: 89.4%

4-(hydroxymethyl)-2,3,5,6-tetrafluorobenzyl bromide (99705-46-1) → 2,3,5,6-tetrafluoro-4-methylbenzyl alcohol (79538-03-7)

Guidance literature:

With hydrogen; magnesium oxide; 5%-palladium/activated carbon; In methanol; water; at 50 ℃; for 1 - 1.5h; under 1875.19 Torr; Product distribution / selectivity;

Reference yield: 71.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,3,5,6-tetrafluorotoluene (5230-78-4) → 2,3,5,6-tetrafluoro-4-methylbenzyl alcohol (79538-03-7)

Guidance literature:

2,3,5,6-tetrafluorotoluene; With isopropylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 12h; Glovebox; Schlenk technique; Inert atmosphere;

formaldehyd; In tetrahydrofuran; at 20 ℃; for 6h; Glovebox; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.5b02022

Reference yield:

2,3,5,6-tetrafluoro-1,4-benzenedimethanol (92339-07-6) → 2,3,5,6-tetrafluoro-4-methylbenzyl alcohol (79538-03-7) + 1,4-dimethyl-2,3,5,6-tetrafluorobenzene (703-87-7)

Guidance literature:

With hydrogen; sponge cobalt catalyst in water-containing state; In toluene; at 160 ℃; for 0.5 - 1h; under 3975.4 - 165017 Torr; Product distribution / selectivity;

upstream raw materials:

2,3,5,6-tetrafluoro-1,4-benzenedimethanol

4-(hydroxymethyl)-2,3,5,6-tetrafluorobenzyl bromide

4-chloromethyl-2,3,5,6-tetrafluorobenzyl alcohol

tetrahydro-2-[(4-methyl-2,3,5,6-tetrafluorophenyl)methoxy]-2H-pyran

Downstream raw materials:

(2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate

(S)-2,3,5,6-tetrafluoro-4-methylbenzyl 4-methyl-3-phenylpentanoate

(R)-2,3,5,6-tetrafluoro-4-methylbenzyl 4-methyl-3-phenylpentanoate

Refernces

• 1、 Jia, Xuejiao,Wang, Junya,Ding, Xue,Yang, Jun,Li, Nan,Zhao, Na,Huang, Zhiyan. "Mg-Prompted Polyfluoroarene C-H Functionalization: Formal Synthesis of Transfluthrin, Fenfluthrin, and Tefluthrin". . p. 10874 - 10882. Retrieved 2015/11/18.
• 2、 -. "METHOD FOR PRODUCING 4-METHYL-2,3,5,6-TETRAFLUOROBENZYL ALCOHOL". Page/Page column 13. . Retrieved 2009/12/07.