1,3,4,5,6,7,8-Heptafluoronaphthalen-2-ol

Base Information

• Chemical Name: 1,3,4,5,6,7,8-Heptafluoronaphthalen-2-ol
• CAS No.: 727-49-1
• Molecular Formula: C10H F7 O
• Molecular Weight: 270.106
• Hs Code.: 29081900
• DSSTox Substance ID: DTXSID50369295
• Nikkaji Number: J737.101B
• Wikidata: Q72481287
• Mol file: 727-49-1.mol

Synonyms:727-49-1;1,3,4,5,6,7,8-heptafluoronaphthalen-2-ol;Heptafluoro-2-naphthol;heptafluoronaphthalen-2-ol;BETA-HYDROXY-HEPTAFLUORONAPHTHALENE;1,3,4,5,6,7,8-Heptafluoro-2-naphthol;SCHEMBL395888;AMY5119;DTXSID50369295;RWEQEWKAJFTONV-UHFFFAOYSA-N;AKOS016010064;BS-24629;CS-0207174;FT-0632881;1,3,4,5,6,7,8-heptafluoro-2-naphthalenol;A837607;1,3,4,5,6,7,8-heptakis(fluoranyl)naphthalen-2-ol

Chemical Property of 1,3,4,5,6,7,8-Heptafluoronaphthalen-2-ol

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Melting Point: 120-124 °C
• Boiling Point: 275℃
• PKA: 3.94±0.50(Predicted)
• Flash Point: 120℃
• PSA: 20.23000
• Density: 1.783
• LogP: 3.51910
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 269.99156179
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

99% ^*data from raw suppliers

Heptafluoronaphthalen-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C(C(=C(C(=C1F)O)F)F)C(=C(C(=C2F)F)F)F
• Uses: Heptafluoronaphthalen-2-ol is a building block and an intermediate in the synthesis and characterization of other amino fluoro derived compounds.

Technology Process of 1,3,4,5,6,7,8-Heptafluoronaphthalen-2-ol

There total 3 articles about 1,3,4,5,6,7,8-Heptafluoronaphthalen-2-ol 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: 72.0%

octafluoronaphthalene (313-72-4) → 1,3,4,5,6,7,8-heptafluoro-2-naphthol (727-49-1)

Guidance literature:

With potassium hydroxide; In tert-butyl alcohol; for 3.5h; Heating / reflux;

Reference yield:

1,3,4,5,6,7,8-heptafluoro-1-(prop-2-enyl)-naphthalen-2-one (74527-15-4) → 1,3,4,5,6,7,8-heptafluoro-2-naphthol (727-49-1) + 2,5,7-trifluoro-3,4-(tetrafluorobenzo)-tricyclo<3.3.1.02,7>-non-3-en-6-one

Guidance literature:

at 455 ℃; under 0.005 Torr;

DOI:10.1016/S0022-1139(00)82368-4

Reference yield:

1,3,4,5,6,7,8-heptafluoro-2-naphthyl prop-2-enyl ether (74527-16-5) → 1,3,4,5,6,7,8-heptafluoro-2-naphthol (727-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 16.0 g / xylene / 2.5 h / 130 - 135 °C

2: 455 °C / 0.01 Torr

In xylene;

DOI:10.1016/S0022-1139(00)82368-4

upstream raw materials:

octafluoronaphthalene

1,3,4,5,6,7,8-heptafluoro-1-(prop-2-enyl)-naphthalen-2-one

1,3,4,5,6,7,8-heptafluoro-2-naphthyl prop-2-enyl ether

Downstream raw materials:

2-Benzoyloxyheptafluornaphthalin

2-(2,5-dimethylbenzyl)-4,5,6,7,8,9-hexafluoronaphtho<2,1-b>furan

2-benzyl-4,5,6,7,8,9-hexafluoronaphtho<2,1-b>furan

2,3,4,5-tetrafluorobenzoic acid

Refernces

• 1、 -. "Method of making chlorofluoroethers". Example 1. . Retrieved 2010/01/31.