3,3-Difluoropentane-2,4-dione

Base Information

• Chemical Name: 3,3-Difluoropentane-2,4-dione
• CAS No.: 1547-51-9
• Molecular Formula: C₅H₆F₂O₂
• Molecular Weight: 136.098
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID90506203
• Nikkaji Number: J1.884.793K
• Wikidata: Q82361852
• Mol file: 1547-51-9.mol

Synonyms:3,3-Difluoropentane-2,4-dione;1547-51-9;3,3-DIFLUORO-PENTANE-2,4-DIONE;3,3-difluoro-2,4-pentanedione;SCHEMBL5663829;DTXSID90506203;XVYFWBWYEAQLJC-UHFFFAOYSA-N;AKOS006330758

Chemical Property of 3,3-Difluoropentane-2,4-dione

Chemical Property:

• PSA: 34.14000
• LogP: 0.79970
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 136.03358575
• Heavy Atom Count: 9
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

3,3-DIFLUORO-PENTANE-2,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)C)(F)F

Technology Process of 3,3-Difluoropentane-2,4-dione

There total 1 articles about 3,3-Difluoropentane-2,4-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: 70.0%

acetylacetone (123-54-6,81235-32-7) → 3-fluoro-2,4-pentanedione (759-02-4) + 3,3-difluoro-2,4-pentanedione (1547-51-9) + 1,3-difluoro-2,4-pentanedione (87498-27-9)

Guidance literature:

With fluorine; In formic acid; at 10 - 15 ℃; Product distribution; also other 1,3-diketones;

DOI:10.1016/0040-4020(95)00883-A

Reference yield:

3,3-difluoro-2,4-pentanedione (1547-51-9) + 1-benzylisatin (1217-89-6) → 1-benzyl-3-(1,1-difluoro-2-oxopropyl)-3-hydroxyindolin-2-one + 1-benzyl-3-(1,1-difluoro-2-oxopropyl)-3-hydroxyindolin-2-one

Guidance literature:

With C₂₉H₂₈F₆N₄OS; In methanol; at 25 ℃; for 36h; Overall yield = 62 %; Overall yield = 41 mg; enantioselective reaction;

DOI:10.1002/adsc.201600392

upstream raw materials:

acetylacetone

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