2,2,2-Trifluoro-1-(4-iodophenyl)ethanone

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(4-iodophenyl)ethanone
• CAS No.: 23516-84-9
• Molecular Formula: C8H4 F3 I O
• Molecular Weight: 300.019
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID50346844
• Nikkaji Number: J3.336.131I
• Wikidata: Q82120156
• Mol file: 23516-84-9.mol

Synonyms:23516-84-9;2,2,2-Trifluoro-1-(4-iodophenyl)ethanone;2,2,2-trifluoro-1-(4-iodo-phenyl)-ethanone;Ethanone, 2,2,2-trifluoro-1-(4-iodophenyl)-;2,2,2-TRIFLUORO-1-(4-IODOPHENYL)ETHAN-1-ONE;C8H4F3IO;SCHEMBL3053814;DTXSID50346844;BCP06564;MFCD02260838;AKOS015966113;AB11761;DS-13279;BB 0261979;2,2,2-Trifluoro-1-(4-iodophenyl)ethanone #;alpha,alpha,alpha-Trifluoro-4'-iodoacetophenone;F21103;A816761

Chemical Property of 2,2,2-Trifluoro-1-(4-iodophenyl)ethanone

Chemical Property:

• Boiling Point: 260.3±40.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.881±0.06 g/cm3(Predicted)
• LogP: 3.03620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 299.92590
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

98% ^*data from raw suppliers

2,2,2-Trifluoro-1-(4-iodophenyl)ethan-1-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,2-Trifluoro-1-(4-iodophenyl)ethanone

There total 7 articles about 2,2,2-Trifluoro-1-(4-iodophenyl)ethanone 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: 81.0%

ethyl trifluoroacetate, (383-63-1) + para-diiodobenzene (624-38-4,1032416-46-8) → 2,2,2-trifluoro-1-(4-iodophenyl)ethan-1-one (23516-84-9)

Guidance literature:

With n-butyllithium; In diethyl ether; at -78 - 20 ℃; for 4h;

DOI:10.1021/jm050958a

Reference yield: 66.0%

ethyl-3,3,3-trifluoropyruvate (13081-18-0) + 4-iodobenzenediazonium tetrafluoroborate (1514-50-7) → 2,2,2-trifluoro-1-(4-iodophenyl)ethan-1-one (23516-84-9)

Guidance literature:

With copper(I) oxide; In dichloromethane; dimethyl sulfoxide; at 20 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201604300

Reference yield: 51.0%

trifluoromethan (75-46-7) + methyl 4-iodobenzoate (619-44-3) → 2,2,2-trifluoro-1-(4-iodophenyl)ethan-1-one (23516-84-9)

Guidance literature:

With potassium hexamethylsilazane; In Triethylene glycol dimethyl ether; at -40 ℃; for 4h;

DOI:10.3762/BJOC.17.39

upstream raw materials:

ethyl trifluoroacetate,

para-diiodobenzene

methyl 4-iodobenzoate

(trifluoromethyl)trimethylsilane

Downstream raw materials:

1-Iodo-4-(2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene

oxime 4'-iodo-2,2,2-trifluoroacetophenone

2,2,2-trifluoro-1-(4-iodophenyl)ethan-1-one

(4-methoxyphenyl)-[4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]iodonium trifluoroacetate