7-Fluoro-2-hydroxynaphthalene-1,4-dione

Base Information

• Chemical Name: 7-Fluoro-2-hydroxynaphthalene-1,4-dione
• CAS No.: 58472-36-9
• Molecular Formula: C10H5FO3
• Molecular Weight: 192.146
• Hs Code.: 2914500090
• DSSTox Substance ID: DTXSID50494713
• Wikidata: Q82342287
• Mol file: 58472-36-9.mol

Synonyms:7-fluoro-2-hydroxynaphthalene-1,4-dione;58472-36-9;7-fluoro-4-hydroxynaphthalene-1,2-dione;MFCD14706170;7-fluoro-2-hydroxy-1,4-dihydronaphthalene-1,4-dione;1,4-Naphthalenedione, 7-fluoro-2-hydroxy-;SCHEMBL10086888;DTXSID50494713;CTWHKWXEJQYQNB-UHFFFAOYSA-N;AC2177;AKOS015920329;6-fluoro-3-hydroxynaphtho-1,4-quinone;CS-11244;SY012230;CS-0315806;FT-0763167;A869442

Chemical Property of 7-Fluoro-2-hydroxynaphthalene-1,4-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 363.646°C at 760 mmHg
• Flash Point: 173.727°C
• PSA: 54.37000
• Density: 1.578g/cm³
• LogP: 1.64660
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 192.02227218
• Heavy Atom Count: 14
• Complexity: 321

Purity/Quality:

97% ^*data from raw suppliers

7-Fluoro-2-hydroxynaphthalene-1,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C(=O)C(=O)C=C2O

Technology Process of 7-Fluoro-2-hydroxynaphthalene-1,4-dione

There total 4 articles about 7-Fluoro-2-hydroxynaphthalene-1,4-dione 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: 92.0%

7-fluoro-3,4-dihydronaphthalen-1(2H)-one (2840-44-0) → 7-fluoro-2-hydroxynaphthalene-1,4-dione (58472-36-9)

Guidance literature:

7-fluoro-3,4-dihydronaphthalen-1(2H)-one; With potassium tert-butylate; oxygen; In tert-butyl alcohol; at 20 ℃; for 0.5h;

With hydrogenchloride; In water; tert-butyl alcohol; at 0 ℃; pH=1 - 2;

Reference yield: 81.2%

6-fluoro-3,4-dihydronaphthalen-1(2H)-one (703-67-3) → 7-fluoro-2-hydroxynaphthalene-1,4-dione (58472-36-9)

Guidance literature:

With potassium tert-butylate; oxygen; In tert-butyl alcohol; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2020.112594

Reference yield:

4-(4-fluorophenyl)butanoic acid (589-06-0) → 7-fluoro-2-hydroxynaphthalene-1,4-dione (58472-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: polyphosphoric acid

2: O₂, KOtBu / 2-methyl-propan-2-ol

With PPA; potassium tert-butylate; oxygen; In tert-butyl alcohol;

DOI:10.1021/jm00218a014

upstream raw materials:

7-fluoro-3,4-dihydronaphthalen-1(2H)-one

4-(4-fluorophenyl)butanoic acid

6-fluoro-3,4-dihydronaphthalen-1(2H)-one

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