2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanone

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanone
• CAS No.: 30724-22-2
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Hs Code.: 2914700090
• European Community (EC) Number: 675-526-2
• DSSTox Substance ID: DTXSID80374892
• Nikkaji Number: J1.468.351H
• Wikidata: Q82163468
• Mol file: 30724-22-2.mol

Synonyms:2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone;30724-22-2;3'-Methoxy-2,2,2-trifluoroacetophenone;2,2,2-trifluoro-1-(3-methoxyphenyl)ethan-1-one;MFCD00461895;3-Trifluoroacetylanisole;3' Methoxy -2,2,2-Trifluoroacetophenone;Ethanone, 2,2,2-trifluoro-1-(3-methoxyphenyl)-;SCHEMBL2500212;DTXSID80374892;AMY18977;Trifluoromethyl 3-methoxyphenyl ketone;AKOS005259361;AS-42516;CS-0102184;FT-0671380;1-(3-Methoxyphenyl)-2,2,2-trifluoroethanone;EN300-104198;3'-Methoxy-alpha,alpha,alpha-trifluoroacetophenone;J-506723

Chemical Property of 2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.193mmHg at 25°C
• Boiling Point: 500C/0.5Torr
• Flash Point: 79°C
• PSA: 26.30000
• Density: 1.265g/cm³
• LogP: 2.44020
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.03981395
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

3’-Methoxy-2,2,2-Trifluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)C(F)(F)F
• Uses: 3’-Methoxy-2,2,2-Trifluoroacetophenone (cas# 30724-22-2) is a compound useful in organic synthesis.

Technology Process of 2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanone

There total 16 articles about 2,2,2-Trifluoro-1-(3-methoxyphenyl)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: 98.0%

2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol (128816-77-3) → 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone (30724-22-2)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; for 13h; Reflux;

DOI:10.1016/j.tetlet.2013.06.045

Reference yield: 96.0%

3-methoxyphenyl bromide (2398-37-0) + trifluoroacetic acid-methyl ester (431-47-0) → 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone (30724-22-2)

Guidance literature:

3-methoxyphenyl bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

trifluoroacetic acid-methyl ester; In tetrahydrofuran; hexane; at -78 ℃; for 2.5h; Further stages.;

DOI:10.1002/ejoc.200700188

Reference yield: 88.0%

3-methoxyphenyl bromide (2398-37-0) + N,N-diethyl-2,2,2-trifluoroacetamide (360-92-9) → 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone (30724-22-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

DOI:10.1039/b514205a

upstream raw materials:

N-(trifluoroacetyl)piperidine

3-methoxyphenyl bromide

(3-methoxyphenyl)magnesium bromide

trifluoroacetic acid

Downstream raw materials:

2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol

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

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

3,3,3-trifluoro-2-methoxy-2-(3-methoxyphenyl)propionitrile