2,2,2,3',4'-Pentafluoroacetophenone

Base Information

• Chemical Name: 2,2,2,3',4'-Pentafluoroacetophenone
• CAS No.: 302912-28-3
• Molecular Formula: C₈H₃F₅O
• Molecular Weight: 210.103
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20394817
• Nikkaji Number: J1.942.807I
• Wikidata: Q82194447
• Mol file: 302912-28-3.mol

Synonyms:2,2,2,3',4'-Pentafluoroacetophenone;302912-28-3;1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone;MFCD01319992;1-(3,4-difluorophenyl)-2,2,2-trifluoroethan-1-one;1-(3,4-difluorophenyl)-2,2,2-trifluoro-ethanone;SCHEMBL15920928;DTXSID20394817;ETHANONE, 1-(3,4-DIFLUOROPHENYL)-2,2,2-TRIFLUORO-;AKOS012260129;AB08939;BS-22255;2 2 2 3'4'-Pentafluoroacetophenone 95;CS-0204812;2,2,2,3',4'-Pentafluoroacetophenone, 95%;alpha,alpha,alpha,3',4'-Pentafluoroacetophenone;EN300-1937542;1-(3,4-difluoro-phenyl)-2,2,2-trifluoro-ethanone;J-017878;InChI=1/C8H3F5O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3

Chemical Property of 2,2,2,3',4'-Pentafluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.625mmHg at 25°C
• Refractive Index: n20/D 1.4375(lit.)
• Boiling Point: 187.6°Cat760mmHg
• Flash Point: 68.9°C
• PSA: 17.07000
• Density: 1.441g/cm³
• LogP: 2.70980
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 210.01040553
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,2,3′,4′-Pentafluoroacetophenone 95% ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)C(F)(F)F)F)F

Technology Process of 2,2,2,3',4'-Pentafluoroacetophenone

There total 1 articles about 2,2,2,3',4'-Pentafluoroacetophenone 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: 76.7%

→ 1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone (302912-28-3)

Guidance literature:

With hydrogenchloride; water; at 80 ℃;

Reference yield: 90.0%

1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone (302912-28-3) + [2-(1H-indol-2-ylmethyl)phenyl]amine (500904-95-0) → (S)-12-(3,4-difluorophenyl)-12-trifluoromethyl-5,6,11,12-tetrahydrobenzo[2,3]azepino[5,6-b]indole (1617507-24-0)

Guidance literature:

With (11aS)-3,7-bis[3,5-bis(trifluoromethyl)phenyl]-10,11,12,13-tetrahydro-5-hydroxy-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin 5-oxide; In dichloromethane; at 35 ℃; enantioselective reaction; Inert atmosphere; Molecular sieve;

DOI:10.1039/c4cc02295e

Reference yield: 85.0%

2-methylquinoline (91-63-4) + 1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone (302912-28-3) → 2-(3,4-difluorophenyl)-1,1,1-trifluoro-3-(quinolin-2-yl)propan-2-ol

Guidance literature:

With iron(II) perchlorate monohydrate; In dimethyl sulfoxide; at 60 ℃; for 24h; Sealed tube;

DOI:10.1080/00397911.2020.1867178

Downstream raw materials:

(S)-12-(3,4-difluorophenyl)-12-trifluoromethyl-5,6,11,12-tetrahydrobenzo[2,3]azepino[5,6-b]indole

7’-bromo-1-(1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl)-3’-(4-(trifluoromethoxy)phenyl)-1‘H-spiro[piperidine-4,2’-quinazolin]-4’(3’H)-one

trifluoromethanesulfonic acid 1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl ester

Refernces