6-Fluoro-1-indanone

Base Information

• Chemical Name: 6-Fluoro-1-indanone
• CAS No.: 1481-32-9
• Molecular Formula: C9H7FO
• Molecular Weight: 150.152
• Hs Code.: 29147000
• European Community (EC) Number: 625-201-6
• DSSTox Substance ID: DTXSID30364046
• Nikkaji Number: J2.002.001F
• Wikidata: Q72480111
• Mol file: 1481-32-9.mol

Synonyms:6-Fluoro-1-indanone;1481-32-9;6-fluoro-2,3-dihydro-1H-inden-1-one;6-fluoro-2,3-dihydroinden-1-one;6-fluoroindan-1-one;6-Fluoro-indan-1-one;1H-Inden-1-one, 6-fluoro-2,3-dihydro-;MFCD01318147;6fluoro-1-indanone;6-Fluoro-1-indanone, 96%;SCHEMBL1150109;DTXSID30364046;Tert-butylN-(2-thienyl)carbamate;BCP04453;AKOS005206718;AB08649;AC-9650;DS-0573;6-Fluoro-2,3-dihydro-1H-indene-1-one;BP-10962;SY010637;TS-01973;AM20060930;CS-0001933;F0668;FT-0601805;EN300-84437;A23346;F-4470;Z814904728

Chemical Property of 6-Fluoro-1-indanone

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Melting Point: 61 °C
• Boiling Point: 234.6 °C at 760 mmHg
• Flash Point: 84.1 °C
• PSA: 17.07000
• Density: 1.259 g/cm³
• LogP: 1.95460
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.048093005
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Fluoro-2,3-dihydro-1H-inden-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=CC(=C2)F
• Description: 6-Fluoro-1-indanone is a chemical substance with a specific structure and properties. It appears as a solid with a melting point of 60-62°C, a density of 1.3±0.1 g/cm3, a boiling point of 234.6±29.0 °C at 760 mmHg, and a flash point of 84.1±14.5 °C. It is soluble in ethers, alcohols, and acetate but slightly soluble in acetone and benzene, and insoluble in water. 6-Fluoro-1-indanone is an organic compound with a fluorine atom substituted at the 6-position of the indanone ring.
• Uses and Mechanism of Action: Organic Synthesis: ; 6-Fluoro-1-indanone is commonly used as an important intermediate in organic synthesis, particularly in pharmaceuticals, pesticides, and dyes.; ; Inhibitor of ROS Production: ; Some derivatives of 6-Fluoro-1-indanone have been studied for their inhibitory activity against ROS production in macrophages.; ; Catalyst in Chemical Reactions: ; It can act as a starting material or substrate in reactions involving the formation of carbon-carbon bonds or other organic transformations.
• Production Methods: 6-Fluoro-1-indanone can be synthesized through chemical reactions involving the fluorination of precursor compounds, such as 1-indanone, using reagents like hydrogen fluoride or potassium fluoride.
• Analysis Method: The purity and characteristics of 6-Fluoro-1-indanone can be analyzed using various analytical techniques such as chromatography (e.g., column chromatography), spectroscopy (e.g., NMR, IR), and mass spectrometry. Precautions should be taken during handling due to its reactivity and potential health hazards.

Technology Process of 6-Fluoro-1-indanone

There total 15 articles about 6-Fluoro-1-indanone 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: 92.0%

5-fluoro-2-vinyl-benzaldehyde (1228180-96-8) → 6-fluoroindan-1-one (1481-32-9)

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 6-diphenylphosphinomethyl-3-methyl-2-aminopyridine; In toluene; at 150 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c1cc10683j

Reference yield: 85.0%

3-(4-fluorophenyl)propanoyl chloride (772-70-3) → 6-fluoroindan-1-one (1481-32-9)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; at 0 - 70 ℃; for 3.5h;

Reference yield: 81.0%

6-fluoro-2-(hydroxyphenylmethylene)indan-1-one → 6-fluoroindan-1-one (1481-32-9)

Guidance literature:

With indium(III) triflate; In butan-1-ol; for 6h; Reflux;

DOI:10.1080/00397911.2020.1771370

upstream raw materials:

3-(4-fluorophenyl)propanoyl chloride

3-chloro-4'-fluoropropiophenone

3-(4-fluorophenyl)propanoic acid

4-fluorocinnamic acid

Downstream raw materials:

5-fluoro-1H-indene

methyl [4-fluoro-2-(3-fluorobenzoyl)phenyl] acetate

[4-fluoro-2-(3-fluorobenzoyl)phenyl]acetic acid

5-fluoro-3-(3-fluorophenyl)-1H-indene

Refernces

• 1、 Kumari, Anusueya,Singh, Saurabh Kumar,Singh, Raj Bahadur,Bhunia, Sabyasachi,Ghosh, Partha. "A concise synthesis of 2-benzoyl-1-indanones and 1-indanones from 2-aryl-1-tetralones". . p. 2313 - 2318. Retrieved 2020/07/04.
• 2、 Cao, Weidi,Liu, Xiaohua,Peng, Ruixue,He, Peng,Lin, Lili,Feng, Xiaoming. "Catalytic asymmetric cross-dehydrogenative coupling: Activation of C-H bonds by a cooperative bimetallic catalyst system". . p. 3470 - 3472. Retrieved 2013/05/23.