2,3,5,6-Tetrafluoro-4-(hydroxymethyl)phenol

Base Information

• Chemical Name: 2,3,5,6-Tetrafluoro-4-(hydroxymethyl)phenol
• CAS No.: 61596-38-1
• Molecular Formula: C7H4F4O2
• Molecular Weight: 196.101
• DSSTox Substance ID: DTXSID80551520
• Wikidata: Q82431221

Synonyms:2,3,5,6-Tetrafluoro-4-(hydroxymethyl)phenol;61596-38-1;SCHEMBL21322546;DTXSID80551520;CS-0380259

Chemical Property of 2,3,5,6-Tetrafluoro-4-(hydroxymethyl)phenol

Chemical Property:

• PSA: 40.46000
• LogP: 1.44090
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 196.01474201
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1=C(C(=C(C(=C1F)F)O)F)F)O

Technology Process of 2,3,5,6-Tetrafluoro-4-(hydroxymethyl)phenol

There total 5 articles about 2,3,5,6-Tetrafluoro-4-(hydroxymethyl)phenol 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: 95.0%

2,3,5,6-tetrafluoro-4-hydroxybenzoic acid (652-34-6) → 2,3,5,6-tetrafluoro-4-hydroxyphenylmethanol (61596-38-1)

Guidance literature:

With borane-THF; In tetrahydrofuran; Inert atmosphere; Reflux;

DOI:10.1002/cbic.201400033

Reference yield: 65.0%

2,3,5,6-tetrafluoro-4-hydroxybenzaldehyde (24336-73-0) → 2,3,5,6-tetrafluoro-4-hydroxyphenylmethanol (61596-38-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h;

DOI:10.1006/bioo.1994.1028

Reference yield: 31.0%

2,3,5,6-tetrafluoro-6-methylthiomethylcyclohexa-2,4-dienone (113397-78-7) → 2,3,5,6-tetraflourophenol (769-39-1,85303-67-9) + 2,3,5,6-tetrafluoro-4-hydroxyphenylmethanol (61596-38-1) + 2,3,5,6-tetrafluoro-4-methylthiomethylphenol (113397-79-8)

Guidance literature:

With hydrogen fluoride; for 17h; Ambient temperature;

upstream raw materials:

2,3,5,6-tetrafluoro-6-methylthiomethylcyclohexa-2,4-dienone

2,3,5,6-tetrafluoro-4-hydroxybenzaldehyde

formaldehyd

2,3,5,6-tetraflourophenol

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