3'-(TRIFLUOROMETHOXY)ACETOPHENONE

Base Information

• Chemical Name: 3'-(TRIFLUOROMETHOXY)ACETOPHENONE
• CAS No.: 170141-63-6
• Molecular Formula: C₉H₇F₃O₂
• Molecular Weight: 204.149
• Hs Code.: 29147000
• Mol file: 170141-63-6.mol

Synonyms:1-[3-(Trifluoromethoxy)phenyl]ethanone;3-(Trifluoromethoxy)acetophenone;3'-Trifluoromethoxyacetophenone;

Chemical Property of 3'-(TRIFLUOROMETHOXY)ACETOPHENONE

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 189.9 °C at 760 mmHg
• Flash Point: 83.3 °C
• PSA: 26.30000
• Density: 1.265 g/cm³
• LogP: 2.78780
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

3''-(Trifluoromethoxy)acetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 3'-(TRIFLUOROMETHOXY)ACETOPHENONE

There total 9 articles about 3'-(TRIFLUOROMETHOXY)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: 45.0%

α,α-difluoro(3-acetylphenoxy)acetic acid → 1-(3-trifluoromethoxy-phenyl)ethanone (170141-63-6)

Guidance literature:

With tetrafluoroboric acid; selectfluor II; silver nitrate; In dichloromethane; water; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01779

Reference yield:

3-methyl-4-nitro-1-(trifluoromethoxy)-6-(trifluoromethyl)-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate + acetophenone (98-86-2) → 1-(2-(trifluoromethoxy)phenyl)ethan-1-one (220227-93-0) + 1-[4-(trifluoromethoxy)phenyl]ethan-1-one (85013-98-5) + 1-(3-trifluoromethoxy-phenyl)ethanone (170141-63-6)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 20 ℃; for 16h; Overall yield = 73 %Spectr.; regioselective reaction; Sealed tube; Irradiation;

DOI:10.1002/anie.201808495

Reference yield:

2-(3,5-bis(trifluoromethyl)phenyl)-4-nitro-1-(trifluoromethoxy)-6-(trifluoromethyl)-1H-benzo[d]imidazole + acetophenone (98-86-2) → 1-(2-(trifluoromethoxy)phenyl)ethan-1-one (220227-93-0) + 1-[4-(trifluoromethoxy)phenyl]ethan-1-one (85013-98-5) + 1-(3-trifluoromethoxy-phenyl)ethanone (170141-63-6)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 23 ℃; for 16h; Overall yield = 62 %Spectr.; regioselective reaction; Sealed tube; Irradiation;

DOI:10.1002/anie.201800598

upstream raw materials:

3-(trifluoromethoxy)benzoic acid

methyllithium

acetophenone

trifluoromethanol

Downstream raw materials:

1-(3-(trifluoromethoxy)phenyl)ethanamine hydrochloride

Refernces

• 1、 Dix, Stefan,Golz, Paul,Schmid, Jonas R.,Riedel, Sebastian,Hopkinson, Matthew N.. "Radical C?H Trifluoromethoxylation of (Hetero)arenes with Bis(trifluoromethyl)peroxide". supporting information. p. 11554 - 11558. Retrieved 2021/07/09.
• 2、 Lee, Johnny W.,Lim, Sanghyun,Maienshein, Daniel N.,Liu, Peng,Ngai, Ming-Yu. "Redox-Neutral TEMPO Catalysis: Direct Radical (Hetero)Aryl C?H Di- and Trifluoromethoxylation". supporting information. p. 21475 - 21480. Retrieved 2020/10/02.