4-Fluoro-1-indanone

Base Information

• Chemical Name: 4-Fluoro-1-indanone
• CAS No.: 699-99-0
• Molecular Formula: C9H7FO
• Molecular Weight: 150.152
• Hs Code.: 2914700090
• European Community (EC) Number: 624-160-1
• DSSTox Substance ID: DTXSID00479212
• Wikidata: Q72480113
• Mol file: 699-99-0.mol

Synonyms:4-Fluoro-1-indanone;699-99-0;4-fluoro-2,3-dihydro-1H-inden-1-one;4-fluoro-2,3-dihydroinden-1-one;1H-Inden-1-one, 4-fluoro-2,3-dihydro-;MFCD00797829;4-Fluoro-2,3-dihydro-1-indenone;4-fluoroindane-1-one;SCHEMBL30538;4-Fluoro-1-indanone, 97%;DTXSID00479212;HOMSJDBZHCPYHY-UHFFFAOYSA-N;AM1152;4-fluoranyl-2,3-dihydroinden-1-one;AKOS000223832;AB07191;AC-9649;AS-10064;SY101474;CS-0001929;FT-0602065;EN300-51355;A26836;AB01004609-01;A836727;J-800301;F9994-0414;Z334686322

Chemical Property of 4-Fluoro-1-indanone

Chemical Property:

• Vapor Pressure: 0.0263mmHg at 25°C
• Melting Point: 72-76 °C
• Refractive Index: 1.559
• Boiling Point: 242.752 °C at 760 mmHg
• Flash Point: 86.173 °C
• PSA: 17.07000
• Density: 1.259 g/cm³
• LogP: 1.95460
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in alcohol and chloroform
• 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:

97% ^*data from raw suppliers

4-Fluoroindan-1-one 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C(=CC=C2)F
• Uses: It is used in medicine and as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Technology Process of 4-Fluoro-1-indanone

There total 7 articles about 4-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: 94.0%

C9H11FO2 → 4-fluoro-1-indanone (699-99-0)

Guidance literature:

With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; potassium hydroxide; In water; at 80 ℃; for 16h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.202001550

Reference yield: 91.9%

3-(2-fluorophenyl)propionic acid (1643-26-1) → 4-fluoro-1-indanone (699-99-0)

Guidance literature:

3-(2-fluorophenyl)propionic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 ℃; for 1h;

With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/acs.jmedchem.6b00275

Reference yield: 43.0%

1-chloro-3-fluoro-2-vinylbenzene (196862-01-8) → 4-fluoro-1-indanone (699-99-0)

Guidance literature:

With pyridine; tetrabutyl-ammonium chloride; tri tert-butylphosphoniumtetrafluoroborate; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); In 1,4-dioxane; at 170 ℃; for 0.5h; microwave irradiation;

DOI:10.1021/jo048375g

upstream raw materials:

3-(2-fluorophenyl)propanoyl chloride

1-chloro-3-fluoro-2-vinylbenzene

3-(2-fluorophenyl)propionic acid

2-fluorocinnamic acid

Downstream raw materials:

4-fluoro-indan-1-ol

3-Fluorindan

2-bromo-4-fluoro-1-indanone

2-fluoro-6-(4-fluoroindan-1-yloxy)-benzonitrile