1-Propanone, 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-

Base Information

• Chemical Name: 1-Propanone, 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-
• CAS No.: 345901-60-2
• Molecular Formula: C10H7F5O2
• Molecular Weight: 254.15300
• DSSTox Substance ID: DTXSID50375098
• Nikkaji Number: J1.468.356I
• Wikidata: Q82163636
• Mol file: 345901-60-2.mol

Synonyms:345901-60-2;1-Propanone, 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-;2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)propan-1-one;TWLGLPXTSLFTBV-UHFFFAOYSA-;DTXSID50375098;TWLGLPXTSLFTBV-UHFFFAOYSA-N;4-Methoxyphenyl perfluoroethyl ketone;AKOS005259712;Pentafluoroethyl 4-methoxyphenyl ketone;2,2,3,3,3-Pentafluoro-1-(4-methoxyphenyl)-1-propanone;2,2,3,3,3-Pentafluoro-1-(4-methoxyphenyl)propane-1-one;InChI=1/C10H7F5O2/c1-17-7-4-2-6(3-5-7)8(16)9(11,12)10(13,14)15/h2-5H,1H3

Chemical Property of 1-Propanone, 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-

Chemical Property:

• PSA: 26.30000
• LogP: 3.07550
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 254.03662027
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C(C(F)(F)F)(F)F

Technology Process of 1-Propanone, 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-

There total 5 articles about 1-Propanone, 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)- 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: 86.0%

phenyl pentafluoropropionate (2002-94-0) + 4-methylphenylboronic acid (5720-05-8) → 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)propanone (345901-60-2)

Guidance literature:

tributylphosphine; palladium diacetate; In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 4h;

DOI:10.1246/bcsj.74.371

Reference yield: 70.0%

1,1,1,2,2-pentafluoroethane (354-33-6) + methyl 4-methoxybenzoate (121-98-2) → 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)propanone (345901-60-2)

Guidance literature:

With potassium hexamethylsilazane; In Triethylene glycol dimethyl ether; at -40 ℃; Schlenk technique;

DOI:10.1021/acs.joc.1c00298

Reference yield: 57.0%

ethyl Pentafluoropropionate (426-65-3) + 4-methoxyphenyl magnesium bromide (13139-86-1) → 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)propanone (345901-60-2)

Guidance literature:

In tetrahydrofuran; at -78 ℃;

DOI:10.1021/jo0602120

upstream raw materials:

phenyl pentafluoropropionate

4-methylphenylboronic acid

ethyl Pentafluoropropionate

4-methoxyphenyl magnesium bromide

Downstream raw materials:

3,3,4,4,4-pentafluoro-1,2-bis(4-methoxyphenyl)butane

N-methoxy-N-methylbenzamide

3,3,4,4,4-pentafluoro-1,2-bis(4-methoxyphenyl)but-1-ene

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