2,2-Difluoro-1,3-diphenylpropane-1,3-dione

Base Information

• Chemical Name: 2,2-Difluoro-1,3-diphenylpropane-1,3-dione
• CAS No.: 365-00-4
• Molecular Formula: C15H10 F2 O2
• Molecular Weight: 260.24
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20391407
• Nikkaji Number: J275.901B
• Wikidata: Q82188856
• Mol file: 365-00-4.mol

Synonyms:2,2-difluoro-1,3-diphenylpropane-1,3-dione;365-00-4;2,2-difluoro-1,3-diphenyl-propane-1,3-dione;SCHEMBL7907262;DTXSID20391407;JOVRDMZVXGHYHX-UHFFFAOYSA-N;AKOS015967688;CS-0356378;1,3-Diphenyl-2,2-difluoro-1,3-propanedione

Chemical Property of 2,2-Difluoro-1,3-diphenylpropane-1,3-dione

Chemical Property:

• PSA: 34.14000
• LogP: 3.38750
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.06488588
• Heavy Atom Count: 19
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

2,2-DIFLUORO-1,3-DIPHENYL-PROPANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)(F)F

Technology Process of 2,2-Difluoro-1,3-diphenylpropane-1,3-dione

There total 12 articles about 2,2-Difluoro-1,3-diphenylpropane-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: 90.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) → 2,2-difluoro-1,3-diphenyl-1,3-propanedione (365-00-4)

Guidance literature:

With Selectfluor; In water; acetonitrile; at 20 ℃; for 48h;

DOI:10.1021/acs.orglett.5b03654

Reference yield: 81.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) → 2,2-difluoro-1,3-diphenyl-1,3-propanedione (365-00-4) + 2-fluoro-1,3-diphenyl-1,3-propanedione (109801-24-3)

Guidance literature:

With Selectfluor; In acetonitrile; at 82 ℃; for 0.166667h; microwave irradiation;

DOI:10.1016/j.jfluchem.2004.10.043

Reference yield: 81.0%

1,3-diphenyl-3-(pyrrolidin-1-yl)prop-2-en-1-one (145800-06-2) → 2,2-difluoro-1,3-diphenyl-1,3-propanedione (365-00-4)

Guidance literature:

With Selectfluor; triethylamine; In acetonitrile; at -10 ℃; for 0.5h;

DOI:10.1021/jo0506837

upstream raw materials:

chlorure de difluoromalonyle

benzene

3-Acetoxy-1,3-diphenyl-2-propen-1-on

2-fluoro-1,3-diphenyl-1,3-propanedione

Downstream raw materials:

1,1,2,2-tetrafluoro-3-oxo-3-phenylpropyl phenyl ether

1,1,2,2,3,3-hexafluoro-1,3-diphenoxypropane

(S)-3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindolin-2-one

Refernces

• 1、 Cui, Ying,Jiao, Jingchao,Ma, Xiantao,Rao, Weihao,Tang, Lin,Yang, Zhen,Zhou, Qiuju,Zhou, Yuqiang,Zou, Guodong. "Chemoselective Mono- And Difluorination of 1,3-Dicarbonyl Compounds". . . Retrieved 2019/08/26.
• 2、 Cao, Qun,Howard, Joseph L.,Crawford, Deborah E.,James, Stuart L.,Browne, Duncan L.. "Translating solid state organic synthesis from a mixer mill to a continuous twin screw extruder". supporting information. p. 4443 - 4447. Retrieved 2018/10/17.