Flurenol

Base Information

• Chemical Name: Flurenol
• CAS No.: 467-69-6
• Molecular Formula: C10H14O
• Molecular Weight: 226.232
• Hs Code.: Oral rat LD50: >10 gm/kg
• European Community (EC) Number: 207-397-1
• NSC Number: 97576
• UNII: 4TKT65AM8P
• DSSTox Substance ID: DTXSID0075029
• Nikkaji Number: J1.537G
• Wikidata: Q27155691
• ChEMBL ID: CHEMBL1452438
• Mol file: 467-69-6.mol

Synonyms:Flurenol;467-69-6;9-Hydroxyfluorene-9-carboxylic acid;9-Hydroxy-9-fluorenecarboxylic acid;9-Hydroxy-9H-fluorene-9-carboxylic acid;Flurecol;Glycolic acid, diphenylene-;Flurenol [ISO];9H-Fluorene-9-carboxylic acid, 9-hydroxy-;Flurecol [BSI:ISO];188853-09-0;NSC 97576;Fluorene-9-carboxylic acid, 9-hydroxy-;9-Hydooxyfluorene-9-carboxylic acid;EINECS 207-397-1;UNII-4TKT65AM8P;BRN 1314711;4TKT65AM8P;CHEBI:82015;NSC-97576;Fluorene-9-carboxylic acid, 9-hydooxy-;9-Hydroxy-9-fluorene carboxyli acid;FLURECOL [ISO];ChemDiv2_000095;Oprea1_647849;Oprea1_737334;SCHEMBL66735;CHEMBL1452438;DTXSID0075029;9H-fluorene-9-carboperoxoic acid;HMS1369E07;9-hydroxyfluorene-9-carboxlic acid;NSC97576;BBL027326;MFCD00001137;STK726749;9-hydroxy-9-fluorene carboxylic acid;AKOS001582514;AC-4869;CCG-103077;NCGC00166225-01;LS-69220;PS-11089;9-Hydroxy-9-fluorenecarboxylic acid, 97%;9-hydroxy-9-H-fluoren-9-ylcarboxylic acid;CS-0204346;EU-0066698;FT-0632173;H1004;C18856;D90987;9-Hydroxy-9H-fluorene-9-carboxylic acid (9CI);A827102;SR-01000388705;SR-01000388705-1;Q27155691;bis(2-{[4-(dimethylamino)phenyl]amino}-2-oxoethyl) cyanodithioimidocarbonate

Chemical Property of Flurenol

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 1.95E-10mmHg at 25°C
• Melting Point: 162-166 °C(lit.)
• Boiling Point: 490.5 °C at 760 mmHg
• Flash Point: 264.6 °C
• PSA: 57.53000
• Density: 1.45 g/cm³
• LogP: 1.98750
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 226.062994177
• Heavy Atom Count: 17
• Complexity: 303

Purity/Quality:

98%, ^*data from raw suppliers

9-Hydroxy-9H-fluorene-9-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N, Xi
• Hazard Codes: N,Xi
• Statements: 51/53-36/37/38
• Safety Statements: 61-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O
• Uses: 9-Hydroxy-9-fluorenecarboxylic acid was used in the synthesis of a hexameric organooxotin prismane.

Technology Process of Flurenol

There total 22 articles about Flurenol 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: 99.0%

9-fluorenone (486-25-9,952573-42-1) + carbon dioxide (124-38-9,18923-20-1) → 9-hydroxy-9-fluorene carboxylic acid (467-69-6)

Guidance literature:

With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole; In acetonitrile; at 20 ℃; for 1h; Schlenk technique; Irradiation;

DOI:10.1021/acs.orglett.1c02592

Reference yield: 15.0%

9-fluorenone (486-25-9,952573-42-1) + carbon dioxide (124-38-9,18923-20-1) → 9-hydroxy-9-fluorene carboxylic acid (467-69-6) + 9-Fluorenol (1689-64-1) + 9H-fluorene-9-carboxylic acid (1989-33-9)

Guidance literature:

With ytterbium; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; for 0.833333h; under 760 Torr; Ambient temperature;

DOI:10.1039/c39880000668

Reference yield:

9-carboxylate-9-fluorenyl cation → 9-hydroxy-9-fluorene carboxylic acid (467-69-6)

Guidance literature:

With water; In various solvent(s); at 20 ℃; Rate constant;

DOI:10.1021/ja962066t

upstream raw materials:

9-chloro-fluorene-9-carboxylic acid fluoren-9-yl ester

9,10-phenanthrenequinone

9-fluorenone

carbon dioxide

Downstream raw materials:

(4-fluoren-9-yl-phenyl)-methyl sulfide

9-fluorenone

9H-fluorene-9-carboxylic acid

9-(4-hydroxy-phenyl)-fluorene-9-carboxylic acid

Refernces

• 1、 Eisch, John J.,Fregene, Paul O.. "Vanadium(I) chloride and lithium vanadium(I) dihydride as selective epimetallating reagents for π- and σ-bonded organic substrates". scheme or table. p. 4482 - 4492. Retrieved 2009/05/07.
• 2、 -. "Medicaments for inhalation comprising an anticholinergic and a betamimetic". . . Retrieved 2008/06/13.