2'-(Trifluoromethyl)acetophenone

Base Information

• Chemical Name: 2'-(Trifluoromethyl)acetophenone
• CAS No.: 17408-14-9
• Molecular Formula: C9H7F3O
• Molecular Weight: 188.149
• Hs Code.: 29143990
• European Community (EC) Number: 241-434-2
• UNII: XHM36M4K7Q
• DSSTox Substance ID: DTXSID50169757
• Nikkaji Number: J236.226K
• Wikidata: Q72511578
• Mol file: 17408-14-9.mol

Synonyms:2'-(Trifluoromethyl)acetophenone;17408-14-9;1-(2-(trifluoromethyl)phenyl)ethanone;1-[2-(Trifluoromethyl)phenyl]ethanone;Ethanone, 1-[2-(trifluoromethyl)phenyl]-;o-Trifluoromethylacetophenone;2'-trifluoromethylacetophenone;1-[2-(trifluoromethyl)phenyl]ethan-1-one;2/'-(Trifluoromethyl)acetophenone;MFCD00000378;EINECS 241-434-2;Ethanone, 1-(2-(trifluoromethyl)phenyl)-;2-Acetylbenzotrifluoride;XHM36M4K7Q;SCHEMBL70366;2'-trifluoromethyl acetophenone;2'-trifluoromethyl-acetophenone;2`-(Trifluoromethyl)acetophenone;FYDUUODXZQITBF-UHFFFAOYSA-;DTXSID50169757;Acetophenone, 2'-trifluoromethyl-;CK1155;AKOS000119794;1-(2-Trifluoromethyl-phenyl)-ethanone;AC-2593;CS-W007830;PS-8444;2'-(Trifluoromethyl)acetophenone, 99%;1-[2-(Trifluoromethyl)phenyl]ethanone #;SY002280;AM20030158;FT-0601999;T1899;EN300-21247;W-107853;Z104494810;2 inverted exclamation mark -(Trifluoromethyl)acetophenone

Chemical Property of 2'-(Trifluoromethyl)acetophenone

Chemical Property:

• Appearance/Colour: clear colorless to very slightly yellow liquid
• Melting Point: 15-17 °C
• Refractive Index: n20/D 1.4584(lit.)
• Boiling Point: 206.1 °C at 760 mmHg
• Flash Point: 84.4 °C
• PSA: 17.07000
• Density: 1.218 g/cm³
• LogP: 2.90800
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.04489933
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

2''-(Trifluoromethyl)acetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1C(F)(F)F
• Uses: 2′-(Trifluoromethyl)acetophenone has been used to investigate the use of in situ generated CuCF3 for the direct substitution of chlorine by CF3 in various aromatic substrates.

Technology Process of 2'-(Trifluoromethyl)acetophenone

There total 24 articles about 2'-(Trifluoromethyl)acetophenone 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: 92.0%

2-bromophenyl methyl ketone (2142-69-0) + trifluoromethylcopper(I) (77152-08-0) → 1-(2-(trifluoromethyl)phenyl)ethan-1-one (17408-14-9)

Guidance literature:

With triethylamine tris(hydrogen fluoride); In N,N-dimethyl-formamide; at 23 - 50 ℃; for 18h; Inert atmosphere;

DOI:10.1021/jo401423h

Reference yield: 90.0%

(+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol (79756-81-3) → 1-(2-(trifluoromethyl)phenyl)ethan-1-one (17408-14-9)

Guidance literature:

With peracetic acid; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; In acetonitrile; at 20 ℃; for 10h;

DOI:10.1002/cctc.201500214

Reference yield: 85.0%

1-ethynyl-2-(trifluoromethyl)benzene (704-41-6) → 1-(2-(trifluoromethyl)phenyl)ethan-1-one (17408-14-9)

Guidance literature:

With Au nanoparticles covalently bonded to HS/SO₃H functionalized periodic mesoporous organosilica (Et); In water; at 80 ℃; for 4h;

DOI:10.1021/ja203450g

upstream raw materials:

dibromodifluoromethane

1-(2-chlorophenyl)ethanone

o-Trifluoromethyl-valerophenon

Bromotrifluoromethane

Downstream raw materials:

1-(2-trifluoromethyl-phenyl)-butane-1,3-dione

2-(p-tolyl)-1-(2-(trifluoromethyl)phenyl)ethanone

C₁₁H₁₁F₃O

2-(trifluoromethyl)phenacyl bromide

Refernces

• 1、 Mathew, Sam,Renn, Dominik,Rueping, Magnus,Sagadevan, Arunachalam. "One-Pot Chemoenzymatic Conversion of Alkynes to Chiral Amines". . p. 12565 - 12569. Retrieved 2021/10/21.
• 2、 Bartling, Stephan,Beller, Matthias,Ellinger, Stefan,Kreyenschulte, Carsten Robert,Lund, Henrik,Neumann, Helfried,Taeschler, Christoph,Weniger, Florian,Zhang, Shaoke. "Towards a practical perfluoroalkylation of (hetero)arenes with perfluoroalkyl bromides using cobalt nanocatalysts". . p. 1731 - 1738. Retrieved 2020/04/09.