4-Fluoro-7-methoxy-2,3-dihydro-1H-inden-1-one

Base Information

• Chemical Name: 4-Fluoro-7-methoxy-2,3-dihydro-1H-inden-1-one
• CAS No.: 127033-13-0
• Molecular Formula: C₁₀H₉FO₂
• Molecular Weight: 180.179
• DSSTox Substance ID: DTXSID20562554
• Wikidata: Q82446772
• Mol file: 127033-13-0.mol

Synonyms:127033-13-0;4-Fluoro-7-methoxy-2,3-dihydro-1H-inden-1-one;4-Fluoro-7-methoxy-1-indanone;4-FLUORO-7-METHOXY-2,3-DIHYDROINDEN-1-ONE;1H-Inden-1-one, 4-fluoro-2,3-dihydro-7-methoxy-;SCHEMBL5760847;4-fluoro-7-methoxyindan-1-one;DTXSID20562554;RBJPSYZJIFLOCE-UHFFFAOYSA-N;AM716;CFA03313;MFCD09908148;AKOS006312423;AC-23399;AS-67380;CS-0159291;W13732;4-Fluoro-2,3-dihydro-7-methoxy-1H-inden-1-one

Chemical Property of 4-Fluoro-7-methoxy-2,3-dihydro-1H-inden-1-one

Chemical Property:

• Boiling Point: 316.7±42.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 1.96320
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.05865769
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99%, ^*data from raw suppliers

4-Fluoro-7-methoxy-2,3-dihydro-1H-inden-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=C(C=C1)F)CCC2=O

Technology Process of 4-Fluoro-7-methoxy-2,3-dihydro-1H-inden-1-one

There total 5 articles about 4-Fluoro-7-methoxy-2,3-dihydro-1H-inden-1-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:

4-fluorophenyl 3-chloropropanoate (127033-12-9) + methyl iodide (74-88-4) → 4-chloro-7-methoxy-2,3-dihydro-1H-inden-1-one (99183-99-0) + 4-fluoro-7-methoxy-1-indanone (127033-13-0)

Guidance literature:

With aluminium trichloride; potassium carbonate; Multistep reaction; 1.) 25 deg C to 180 deg C, 2.) acetone;

DOI:10.1021/jm00168a002

Reference yield:

4-Fluoro-7-hydroxy-indan-1-one (136191-16-7) + dimethyl sulfate (77-78-1) → 4-fluoro-7-methoxy-1-indanone (127033-13-0)

Guidance literature:

With potassium carbonate; In water; acetone;

Reference yield:

4-Fluorophenol (371-41-5) → 4-fluoro-7-methoxy-1-indanone (127033-13-0)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine

2: AlCl₃

3: potassium carbonate / water; acetone

With potassium carbonate; triethylamine; AlCl₃; In water; acetone;

upstream raw materials:

4-fluorophenyl 3-chloropropanoate

methyl iodide

4-Fluoro-7-hydroxy-indan-1-one

dimethyl sulfate

Downstream raw materials:

(S)-5-Fluoro-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine

(R)-5-fluoro-8-hydroxy-2-(dipropylamino)-tetralin

(S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin

Benzyl-(5-fluoro-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine