3-Hydroxyfluoren-9-one

Base Information

• Chemical Name: 3-Hydroxyfluoren-9-one
• CAS No.: 6633-46-1
• Molecular Formula: C13H8 O2
• Molecular Weight: 196.205
• Hs Code.: 2914501900
• NSC Number: 56698
• DSSTox Substance ID: DTXSID60288584
• Nikkaji Number: J906.313G
• Wikidata: Q82025663
• Mol file: 6633-46-1.mol

Synonyms:3-hydroxy-9h-fluoren-9-one;3-hydroxyfluoren-9-one;6633-46-1;3-Hydroxy-fluoren-9-one;NSC56698;3-hydroxyfluorene-9-one;SCHEMBL2029500;DTXSID60288584;NSC-56698;AKOS030255108;A852572

Chemical Property of 3-Hydroxyfluoren-9-one

Chemical Property:

• Vapor Pressure: 3E-06mmHg at 25°C
• Boiling Point: 377.9°C at 760 mmHg
• Flash Point: 161.3°C
• PSA: 37.30000
• Density: 1.369g/cm³
• LogP: 2.60360
• Solubility.: Chloroform, Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.052429494
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

3-Hydroxy-9H-fluoren-9-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=CC(=C3)O
• Uses: 3-Hydroxy-9H-fluoren-9-one is an metabolite of polycyclic aromatic hydrocarbons (PAH) that is used for biomonitoring human exposure to PAH.

Technology Process of 3-Hydroxyfluoren-9-one

There total 20 articles about 3-Hydroxyfluoren-9-one 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%

3-methoxy-fluoren-9-one (15144-82-8) → 3-hydroxy-9H-fluoren-9-one (6633-46-1)

Guidance literature:

With hydrogen bromide; In acetic acid; for 8h; Heating;

DOI:10.1016/S0040-4020(01)01187-5

Reference yield: 84.0%

4-Hydroxybenzophenone (1137-42-4) → 3-hydroxy-9H-fluoren-9-one (6633-46-1)

Guidance literature:

With palladium diacetate; potassium carbonate; trifluoroacetic acid; silver(l) oxide; at 140 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/ol302181z

Reference yield: 74.0%

2-iodochlorobenzene (615-41-8) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3-hydroxy-9H-fluoren-9-one (6633-46-1)

Guidance literature:

With palladium diacetate; potassium hydrogencarbonate; DL-Pro-NHMe; In tert-Amyl alcohol; at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2018.11.055

upstream raw materials:

2,4'-dichlorobenzophenone

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

3-methoxy-fluoren-9-one

5-methoxy-[1,1′-biphenyl]-2-carboxylic acid

Downstream raw materials:

3-hydroxyfluorene

3-(benzyloxy)-9H-fluoren-9-one

6-hydroxy-6-methyl-2,2-diphenyl-2H-pyrano[5,6-b]fluorene