1-Hydroxyfluoren-9-one

Base Information

• Chemical Name: 1-Hydroxyfluoren-9-one
• CAS No.: 6344-60-1
• Molecular Formula: C13H8O2
• Molecular Weight: 196.205
• Hs Code.: 2914390090
• European Community (EC) Number: 228-746-4
• NSC Number: 51309
• UNII: W4YR69TDU4
• DSSTox Substance ID: DTXSID70212855
• Nikkaji Number: J4.448B
• Wikidata: Q83088071
• Mol file: 6344-60-1.mol

Synonyms:1-Hydroxy-9-fluorenone;1-Hydroxyfluoren-9-one;6344-60-1;1-Hydroxy-9H-fluoren-9-one;1-hydroxy-fluoren-9-one;W4YR69TDU4;9H-Fluoren-9-one, 1-hydroxy-;EINECS 228-746-4;NSC-51309;9-hydroxyfluorenone;NSC51309;UNII-W4YR69TDU4;119620-42-7;SCHEMBL1039833;SCHEMBL17121942;1-Hydroxy-9H-fluoren-9-one #;DTXSID70212855;MFCD00044706;NSC 51309;AKOS015906194;FT-0636109

Chemical Property of 1-Hydroxyfluoren-9-one

Chemical Property:

• Appearance/Colour: yellow to orange crystalline solid
• Vapor Pressure: 2E-06mmHg at 25°C
• Melting Point: 116-119 °C
• Refractive Index: 1.707
• Boiling Point: 383.4 °C at 760 mmHg
• PKA: 7.71±0.20(Predicted)
• Flash Point: 163.7 °C
• PSA: 37.30000
• Density: 1.369 g/cm³
• LogP: 2.60360
• Storage Temp.: -20°C Freezer
• Solubility.: Dichloromethane, Ethyl Acetate
• XLogP3: 3.8
• 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:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)O
• Uses: 1-Hydroxy-9H-fluoren-9-one is an intermediate in synthesizing Fluoren-1-ol (F462450), a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population.

Technology Process of 1-Hydroxyfluoren-9-one

There total 22 articles about 1-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%

1-methoxy-9-fluorenone (42523-15-9) → 1-hydroxy-9H-fluoren-9-one (6344-60-1)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 12h;

DOI:10.1139/cjc-77-5-6-868

Reference yield: 81.0%

3-hydroxybiphenyl-2-carboxylic acid methyl ester (53437-07-3) → 1-hydroxy-9H-fluoren-9-one (6344-60-1)

Guidance literature:

With sulfuric acid; at 0 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1216814

Reference yield: 70.0%

1-amino-9H-fluoren-9-one (6344-62-3) → 1-hydroxy-9H-fluoren-9-one (6344-60-1)

Guidance literature:

1-amino-9H-fluoren-9-one; With sulfuric acid; sodium nitrite; at 0 ℃; for 2h;

With sulfuric acid; for 0.25h; Heating;

DOI:10.1016/j.bmcl.2006.07.024

upstream raw materials:

1-methoxy-9-fluorenone

6-Phenylsalicylic acid

(2-(allyloxy)phenyl)(phenyl)methanone

9-diazofluorenone

Downstream raw materials:

1-phenyl-9H-fluoren-9-one

1,4-bis(4-methoxyphenyl)-9H-fluoren-9-one

N'-(1-hydroxy-9H-fluoren-9-ylidene)-4-methylbenzenesulfonohydrazide

10-hydroxy-10-methyl-2,2-diphenyl-2H-pyrano[6,5-b]fluorene

Refernces

• 1、 Chu, Jean-Ho,Chen, Shih-Tien,Chiang, Meng-Fan,Wu, Ming-Jung. "Palladium-catalyzed direct ortho aroylation of 2-phenoxypyridines with aldehydes and catalytic mechanism investigation". . p. 953 - 966. Retrieved 2015/03/18.
• 2、 Mross, Gerson,Ladzik, Simone,Reinke, Helmut,Spannenberg, Anke,Fischer, Christine,Langer, Peter. "Synthesis of functionalized salicylates by formal [3+3] cyclocondensation of 1,3-bis(silyloxy)buta-1,3-dienes with 3-alkoxy-2-en-1-ones". experimental part. p. 2236 - 2248. Retrieved 2009/12/26.