4-Fluorocatechol

Base Information

• Chemical Name: 4-Fluorocatechol
• CAS No.: 367-32-8
• Molecular Formula: C6H5FO2
• Molecular Weight: 128.103
• Hs Code.: 2908199090
• European Community (EC) Number: 677-404-4
• DSSTox Substance ID: DTXSID90190146
• Nikkaji Number: J634.609J
• Wikidata: Q27149556
• Mol file: 367-32-8.mol

Synonyms:4-fluorocatechol

Chemical Property of 4-Fluorocatechol

Chemical Property:

• Appearance/Colour: White crystal
• Melting Point: 90-91 °C
• Boiling Point: 258 °C at 760 mmHg
• PKA: 8.80±0.10(Predicted)
• Flash Point: 109.8 °C
• PSA: 40.46000
• Density: 1.415 g/cm³
• LogP: 1.23690
• Storage Temp.: 2-8°C
• Solubility.: Acetone (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.02735756
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

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

4-Fluorocatechol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluorocatechol

There total 21 articles about 4-Fluorocatechol 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: 100.0%

4-fluoroveratrole (398-62-9) → 4-fluoropyrocatechol (367-32-8)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 16h;

Reference yield: 100.0%

5-fluoro-2-hydroxybenzaldehyde (347-54-6) → 4-fluoropyrocatechol (367-32-8)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; water; at 0 - 20 ℃; for 6.5h; pH=10 - 11;

Reference yield: 90.0%

5-fluoro-2,2-dimethylbenzo[1,3]dioxole → 4-fluoropyrocatechol (367-32-8)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1002/ejoc.201901239

upstream raw materials:

4-fluoroveratrole

5-fluoro-2-methoxy phenol

trifluoroacetic anhydride

5-fluoro-2-nitrophenol

Downstream raw materials:

5-fluoro-3'-methyl-2-phenoxy-2λ⁵-spiro[benzo[1,3,2]dioxaphosphole-2,2'-[1,3,2]oxazaphospholidine]

4-fluorocatechol diacetate

C₁₂H₁₁FO₆

2,2'-(4-fluoro-1,2-phenylene)bisoxybis(ethane-2,1-diyl)bis(4-methylbenzenesulfonate)

Refernces

• 1、 Sang, Dayong,Yue, Huaxin,Zhao, Zhengdong,Yang, Pengtao,Tian, Juan. "Anchimerically Assisted Selective Cleavage of Acid-Labile Aryl Alkyl Ethers by Aluminum Triiodide and N, N-Dimethylformamide Dimethyl Acetal". . p. 6429 - 6440. Retrieved 2020/07/14.
• 2、 Bugnola, Marco,Shen, Kaiji,Haviv, Eynat,Neumann, Ronny. "Reductive Electrochemical Activation of Molecular Oxygen Catalyzed by an Iron-Tungstate Oxide Capsule: Reactivity Studies Consistent with Compound i Type Oxidants". . p. 4227 - 4237. Retrieved 2020/05/05.