5,6-Difluoro-1-indanone

Base Information

• Chemical Name: 5,6-Difluoro-1-indanone
• CAS No.: 161712-77-2
• Molecular Formula: C9H6F2O
• Molecular Weight: 168.14
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30472079
• Nikkaji Number: J2.002.002D
• Wikidata: Q72462993
• Mol file: 161712-77-2.mol

Synonyms:5,6-Difluoro-1-indanone;161712-77-2;5,6-difluoro-2,3-dihydro-1H-inden-1-one;5,6-Difluoroindanone;5,6-difluoro-2,3-dihydroinden-1-one;1H-Inden-1-one, 5,6-difluoro-2,3-dihydro-;MFCD07772125;5,6-Difluoro-indanone;5,6-bis(fluoranyl)-2,3-dihydroinden-1-one;5,6-DIFLUOROINDAN-1-ONE;5,6-difluoro-indan-1-one;SCHEMBL782926;DTXSID30472079;OSJRTWXVMCRBKZ-UHFFFAOYSA-N;AM773;CS-B0436;AC-339;AKOS006285377;AB42242;DS-1880;5,6-difluoro-3-oxo-2,3-dihydro-indene;SY067297;FT-0645876;EN300-187270;A810286;A810382;J-514155

Chemical Property of 5,6-Difluoro-1-indanone

Chemical Property:

• Vapor Pressure: 0.021mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 251.286 °C at 760 mmHg
• Flash Point: 95.65 °C
• PSA: 17.07000
• Density: 1.362 g/cm³
• LogP: 2.09370
• Storage Temp.: Sealed in dry,Room Temperature
• 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

5,6-Difluoro-1-indanone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=CC(=C(C=C21)F)F

Technology Process of 5,6-Difluoro-1-indanone

There total 11 articles about 5,6-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: 91.0%

3-(3,4-difluorophenyl)-propanoic acid (161712-75-0) → 5,6-difluoroindan-1-one (161712-77-2)

Guidance literature:

With chlorosulfonic acid; at 0 - 25 ℃; for 1h;

DOI:10.1021/acs.jmedchem.6b00275

Reference yield: 70.0%

3-(3,4-difluorophenyl)propanoyl chloride (161712-76-1) → 5,6-difluoroindan-1-one (161712-77-2)

Guidance literature:

aluminum (III) chloride; In carbon disulfide; for 4.66667h;

Reference yield:

3,4-difluorocinnamoyl chloride (1043546-64-0) → 5,6-difluoroindan-1-one (161712-77-2)

Guidance literature:

With aluminum (III) chloride; In carbon disulfide; at 0 ℃; for 4.5h; Heating / reflux;

upstream raw materials:

3-(3,4-difluorophenyl)propanoyl chloride

3-(3,4-difluorophenyl)-propanoic acid

oxalyl dichloride

3,4-difluorocinnamoyl chloride

Downstream raw materials:

2-bromo-5,6-difluoroindan-1-one

2,2-dibromo-5,6-difluoroindan-1-one

5,6-difluoro-1-hydroxyindane