5,7-Difluoro-1-indanone

Base Information

• Chemical Name: 5,7-Difluoro-1-indanone
• CAS No.: 84315-25-3
• Molecular Formula: C9H6F2O
• Molecular Weight: 168.1401
• Hs Code.: 2914700090
• European Community (EC) Number: 623-425-9
• DSSTox Substance ID: DTXSID50472773
• Nikkaji Number: J2.410.634I
• Wikidata: Q82301909
• Mol file: 84315-25-3.mol

Synonyms:5,7-DIFLUORO-1-INDANONE;84315-25-3;5,7-difluoro-2,3-dihydroinden-1-one;5,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-ONE;1H-Inden-1-one, 5,7-difluoro-2,3-dihydro-;MFCD09908161;SCHEMBL321647;DTXSID50472773;XWZGNWCKXLECBO-UHFFFAOYSA-N;5,7-Difluoro-1-indanone, 97%;AM1200;AKOS005063994;AB54726;CS-W016043;AC-23393;DS-14057;SY110642;5,7-difluoro-2,3-dihydro-1H-indene-1-one;FT-0660180;A852393;J-516561

Chemical Property of 5,7-Difluoro-1-indanone

Chemical Property:

• Vapor Pressure: 0.02mmHg at 25°C
• Melting Point: 80-84 °C
• Refractive Index: 1.537
• Boiling Point: 251.96 °C at 760 mmHg
• Flash Point: 95.924 °C
• PSA: 17.07000
• Density: 1.362 g/cm³
• LogP: 2.09370
• Storage Temp.: 2-8°C
• Water Solubility.: Sparingly soluble in water 0.081 g/L 25°C.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.03867113
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

5,7-Difluoro-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-52/53
• Safety Statements: 26-36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2F)F
• Uses: 5,7-Difluoro-1-indanone is used as pharmaceutical intermediate.

Technology Process of 5,7-Difluoro-1-indanone

There total 8 articles about 5,7-Difluoro-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: 99.0%

3-(3,5-difluorophenyl)propionic acid (84315-24-2) → 5,7-difluoro-2,3-dihydro-1H-inden-1-one (84315-25-3)

Guidance literature:

With chlorosulfonic acid; at 0 ℃; for 1h;

DOI:10.1016/j.tet.2006.10.065

Reference yield: 88.0%

→ 5,7-difluoro-2,3-dihydro-1H-inden-1-one (84315-25-3)

Guidance literature:

Reference yield:

3-(3,5-difluorophenyl)propionyl chloride (95333-92-9) → 5,7-difluoro-2,3-dihydro-1H-inden-1-one (84315-25-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 3.5h; Heating;

DOI:10.1021/jm020067s

upstream raw materials:

3-(3,5-difluorophenyl)propionic acid

3-(3,5-difluorophenyl)propionyl chloride

5-(3,5-difluoro-benzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione

3,5-difluorobenzaldehyde

Downstream raw materials:

8-(4-methoxyphenyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one

8-(3-fluorophenyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one

8-(4-fluorophenyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one

8-phenyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one