3-Hydroxyfluorene

Base Information

• Chemical Name: 3-Hydroxyfluorene
• CAS No.: 6344-67-8
• Molecular Formula: C₁₃H₁₀O
• Molecular Weight: 182.222
• Hs Code.: 2906299090
• European Community (EC) Number: 621-706-0
• NSC Number: 51318
• UNII: C1O4H0G6RZ
• DSSTox Substance ID: DTXSID9047540
• Nikkaji Number: J1.684.621J
• Wikidata: Q27161838
• Metabolomics Workbench ID: 74821
• ChEMBL ID: CHEMBL3185196
• Mol file: 6344-67-8.mol

Synonyms:9h-fluoren-3-ol;3-HYDROXYFLUORENE;Fluoren-3-ol;6344-67-8;C1O4H0G6RZ;DTXSID9047540;CHEBI:89645;NSC 51318;NSC-51318;UNII-C1O4H0G6RZ;NSC51318;starbld0036257;SCHEMBL2763754;CHEMBL3185196;DTXCID7027540;Tox21_300628;AKOS024337329;NCGC00248113-01;NCGC00254342-01;CAS-6344-67-8;Q27161838

Chemical Property of 3-Hydroxyfluorene

Chemical Property:

• Vapor Pressure: 1.19E-05mmHg at 25°C
• Boiling Point: 358.9°C at 760 mmHg
• Flash Point: 175.1°C
• PSA: 20.23000
• Density: 1.241g/cm³
• LogP: 2.96340
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 182.073164938
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

Fluoren-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2=C(C=C(C=C2)O)C3=CC=CC=C31
• Uses: Fluoren-3-ol is a urinary monohydroxylated metabolite of polycyclic aromatic hydrocarbons (PAH) that is used for biomonitoring human exposure to PAH.

Technology Process of 3-Hydroxyfluorene

There total 14 articles about 3-Hydroxyfluorene 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%

6-oxo-6,9-dihydrofluorene-8a-carboxylic acid tert-butyl ester (945546-73-6) → 3-hydroxyfluorene (6344-67-8)

Guidance literature:

With BiCl₃*H₂O; In water; acetonitrile; at 65 - 70 ℃; for 4h;

DOI:10.1021/ol070849l

Reference yield: 84.0%

3-hydroxy-9H-fluoren-9-one (6633-46-1) → 3-hydroxyfluorene (6344-67-8)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In ethylene glycol; at 100 - 160 ℃;

DOI:10.1002/hlca.200490128

Reference yield: 82.05%

→ 3-hydroxyfluorene (6344-67-8)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; Sealed tube; Irradiation;

upstream raw materials:

9H-fluoren-3-amine

3‐bromo‐9H‐fluorene

3-hydroxy-9-oxo-fluorene-2-carboxylic acid

3-hydroxy-9H-fluoren-9-one

Downstream raw materials:

2-phenylazo-fluoren-3-ol

2-nitro-fluoren-3-ol

2,4-dinitro-fluoren-3-ol

3-hydroxy-2-aminofluorene

Refernces

• 1、 Clive, Derrick L. J.,Sunasee, Rajesh,Chen, Zhenhua. "Formal radical closure onto aromatic rings-a general route to carbocycles". experimental part. p. 2434 - 2441. Retrieved 2009/02/02.
• 2、 Shi, Yijian,Wan, Peter. "Solvolysis and ring closure of quinone methides photogenerated from biaryl systems". . p. 1306 - 1323. Retrieved 2007/10/03.