7-Fluoro-1-indanone

Base Information

• Chemical Name: 7-Fluoro-1-indanone
• CAS No.: 651735-59-0
• Molecular Formula: C9H7FO
• Molecular Weight: 150.152
• Hs Code.: 2914700090
• European Community (EC) Number: 851-543-2
• DSSTox Substance ID: DTXSID20382279
• Nikkaji Number: J1.989.922E
• Wikidata: Q72480106
• Mol file: 651735-59-0.mol

Synonyms:651735-59-0;7-FLUORO-1-INDANONE;7-fluoro-2,3-dihydroinden-1-one;7-fluoro-2,3-dihydro-1H-inden-1-one;7-fluoroindan-1-one;1H-Inden-1-one, 7-fluoro-2,3-dihydro-;7-fluoro-indan-1-one;MFCD07368749;1H-Inden-1-one,7-fluoro-2,3-dihydro-;SCHEMBL192783;DTXSID20382279;ASSCRDJQEHFKSX-UHFFFAOYSA-N;BCP29804;CS-D0686;AM1121;7-fluoranyl-2,3-dihydroinden-1-one;AKOS006228208;FS-2561;MB04473;AC-23398;SY021872;FT-0646435;EN300-122783;A834992;J-519247;Z1201624056

Chemical Property of 7-Fluoro-1-indanone

Chemical Property:

• Vapor Pressure: 0.0292mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 245.139 °C at 760 mmHg
• Flash Point: 86.764 °C
• PSA: 17.07000
• Density: 1.259 g/cm³
• LogP: 1.95460
• Storage Temp.: Sealed in dry,Room Temperature
• 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

7-Fluoro-2,3-dihydroinden-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=CC=C2F

Technology Process of 7-Fluoro-1-indanone

There total 13 articles about 7-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: 36.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + malonic acid dimethyl ester (108-59-8) + o-fluoro-benzoic acid (445-29-4) → 7-fluoro-2,3-dihydro-1H-inden-1-one (651735-59-0)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate; at 150 ℃; for 18h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c02986

Reference yield: 32.0%

3-chloro-1-(2-fluorophenyl)propan-1-one (898767-04-9) → 7-fluoro-2,3-dihydro-1H-inden-1-one (651735-59-0)

Guidance literature:

With aluminum (III) chloride; sodium chloride; at 130 - 180 ℃; for 2h;

Reference yield: 27.0%

→ 7-fluoro-2,3-dihydro-1H-inden-1-one (651735-59-0)

Guidance literature:

With thionyl chloride; In benzene; Reflux;

With aluminum (III) chloride; In 1,2-dichloro-ethane; for 24h;

With aluminum (III) chloride; sodium chloride; at 130 - 180 ℃;

upstream raw materials:

3-chloro-1-(2-fluorophenyl)propan-1-one

N-(3-oxo-2,3-dihydro-1H-inden-4-yl)acetamide

4-aminoindan

N-(2,3-dihydro-1H-inden-4-yl)acetamide

Downstream raw materials:

4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one

4-(diphenylmethyleneamino)-7-fluoro-2,3-dihydro-1H-inden-2-ol

(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-4-{4-[4-(methanesulfonyl)piperazin-1-yl]phenyl}-N,N-dimethylpyrrolidin-3-amine