2-Fluoro-4-(trifluoromethoxy)benzaldehyde

Base Information

• Chemical Name: 2-Fluoro-4-(trifluoromethoxy)benzaldehyde
• CAS No.: 1227628-83-2
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.112
• Hs Code.: 2913000090
• European Community (EC) Number: 816-491-7
• DSSTox Substance ID: DTXSID60703464
• Wikidata: Q82635635
• Mol file: 1227628-83-2.mol

Synonyms:2-Fluoro-4-(trifluoromethoxy)benzaldehyde;1227628-83-2;SCHEMBL2366445;DTXSID60703464;DEACWPDDLIOZJV-UHFFFAOYSA-N;MFCD16652440;AKOS015956502;PS-11440;CS-0084356;Benzaldehyde, 2-fluoro-4-(trifluoromethoxy)-;D74503;EN300-1272989

Chemical Property of 2-Fluoro-4-(trifluoromethoxy)benzaldehyde

Chemical Property:

• Refractive Index: 1.4455
• PSA: 26.30000
• LogP: 2.53680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 208.01474201
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

≥95% ^*data from raw suppliers

2-Fluoro-4-(trifluoromethoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)F)C=O

Technology Process of 2-Fluoro-4-(trifluoromethoxy)benzaldehyde

There total 1 articles about 2-Fluoro-4-(trifluoromethoxy)benzaldehyde 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: 57.0%

2-fluoro-1-iodo-4-trifluoromethoxybenzene (1321963-74-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-fluoro-4-(trifluoromethoxy)benzaldehyde (1227628-83-2)

Guidance literature:

2-fluoro-1-iodo-4-trifluoromethoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; hexane; at -78 ℃; for 0.25h;

DOI:10.1021/jm1010644

Reference yield: 78.0%

2-fluoro-4-(trifluoromethoxy)benzaldehyde (1227628-83-2) + anthranilic acid nitrile (1885-29-6) → 2-(4-(trifluoromethoxy)phenyl)quinazolin-4(3Η)-one

Guidance literature:

anthranilic acid nitrile; With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; butyraldehyde oxime; In para-xylene; at 70 ℃; Schlenk technique; Inert atmosphere;

2-fluoro-4-(trifluoromethoxy)benzaldehyde; In para-xylene; at 110 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1002/cctc.201501385

Reference yield: 60.0%

4-methoxy-6-methyl-2H-pyran-2-one (672-89-9) + 2-fluoro-4-(trifluoromethoxy)benzaldehyde (1227628-83-2) → (E)-6-(2-fluoro-4-(trifluoromethoxy)styryl)-4-methoxy-2H-pyran-2-one

Guidance literature:

4-methoxy-6-methyl-2H-pyran-2-one; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃; for 0.166667h; Inert atmosphere;

2-fluoro-4-(trifluoromethoxy)benzaldehyde; In tetrahydrofuran; at -78 - 0 ℃; for 0.666667h; stereoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2021.153574

upstream raw materials:

2-fluoro-1-iodo-4-trifluoromethoxybenzene

N,N-dimethyl-formamide

Downstream raw materials:

(S)-N-(2-fluoro-4-(trifluoromethoxy)benzyl)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine

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