1-(9H-fluoren-2-yl)-4,4,4-trifluorobutane-1,3-dione

Base Information

• Chemical Name: 1-(9H-fluoren-2-yl)-4,4,4-trifluorobutane-1,3-dione
• CAS No.: 15191-70-5
• Molecular Formula: C17H11 F3 O2
• Molecular Weight: 304.2632
• NSC Number: 252992
• DSSTox Substance ID: DTXSID90312361
• Nikkaji Number: J1.008.585C
• Wikidata: Q82062877
• Mol file: 15191-70-5.mol

Synonyms:1-(9H-fluoren-2-yl)-4,4,4-trifluorobutane-1,3-dione;15191-70-5;NSC 252992;NSC252992;2-Fluorenoyltrifluoroacetone;SCHEMBL6667908;DTXSID90312361;NSC-252992;2-(4,4,4-Trifluoro-1,3-dioxobutyl)-9H-fluorene

Chemical Property of 1-(9H-fluoren-2-yl)-4,4,4-trifluorobutane-1,3-dione

Chemical Property:

• Vapor Pressure: 2.58E-07mmHg at 25°C
• Boiling Point: 421.6°Cat760mmHg
• Flash Point: 152.2°C
• Density: 1.343g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 304.07111408
• Heavy Atom Count: 22
• Complexity: 457

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)CC(=O)C(F)(F)F

Technology Process of 1-(9H-fluoren-2-yl)-4,4,4-trifluorobutane-1,3-dione

There total 1 articles about 1-(9H-fluoren-2-yl)-4,4,4-trifluorobutane-1,3-dione 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:

ethyl trifluoroacetate, (383-63-1) + 1-(9H-fluoren-2-yl)ethanone (781-73-7) → 2-acetylfluorene-4,4,4,-trifluorobutane-1,3-dione (15191-70-5)

Guidance literature:

With sodium methylate; In diethyl ether; at 20 ℃; for 48h;

DOI:10.1246/bcsj.71.2253

Reference yield:

2-acetylfluorene-4,4,4,-trifluorobutane-1,3-dione (15191-70-5) → (S)-1-(9H-fluoren-2-yl)-2-fluoro-3-(4-hydroxy-3,5-dimethylphenyl)propan-1-one

Guidance literature:

Multi-step reaction with 2 steps

1.1: Selectfluor / acetonitrile; water / 12 h / -20 °C

2.1: C₃₄H₃₇N₃O₄; potassium dihydrogenphosphate; tetrabutylammonium perchlorate / 1,2-dichloro-ethane / 70 °C / Inert atmosphere; Electrochemical reaction

2.2: 3 h / 70 °C / Inert atmosphere

With potassium dihydrogenphosphate; tetrabutylammonium perchlorate; C₃₄H₃₇N₃O₄; Selectfluor; In water; 1,2-dichloro-ethane; acetonitrile;

DOI:10.1002/ange.202006903

Reference yield:

2-acetylfluorene-4,4,4,-trifluorobutane-1,3-dione (15191-70-5) → 1-(9H-fluoren-2-yl)-2-fluoro-3-(4-hydroxy-3,5-dimethylphenyl)propan-1-one

Guidance literature:

Multi-step reaction with 2 steps

1: Selectfluor / acetonitrile; water / 12 h / -20 °C

2: tert-butylammonium hexafluorophosphate(V); N-ethyl-N,N-diisopropylamine / 1,2-dichloro-ethane / 3 h / 70 °C / Electrochemical reaction; Inert atmosphere

With tert-butylammonium hexafluorophosphate(V); Selectfluor; N-ethyl-N,N-diisopropylamine; In water; 1,2-dichloro-ethane; acetonitrile;

DOI:10.1002/ange.202006903

upstream raw materials:

ethyl trifluoroacetate,

1-(9H-fluoren-2-yl)ethanone

Refernces