2,6-Difluoro-4-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2,6-Difluoro-4-(trifluoromethyl)benzaldehyde
• CAS No.: 134099-34-6
• Molecular Formula: C₈H₃F₅O
• Molecular Weight: 210.103
• Hs Code.: 2913000090
• European Community (EC) Number: 810-886-8
• Mol file: 134099-34-6.mol

Synonyms:2,6-Difluoro-4-(trifluoromethyl)benzaldehyde;134099-34-6;SCHEMBL9341736;SEBPODPGYAOCAN-UHFFFAOYSA-N;MFCD12404959;AKOS027324722;PS-11412;CS-0444965;G19186;EN300-3560773;Z1269140889

Chemical Property of 2,6-Difluoro-4-(trifluoromethyl)benzaldehyde

Chemical Property:

• Boiling Point: 176.1±40.0 °C(Predicted)
• Density: 1.468±0.06 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 210.01040553
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

2,6-Difluoro-4-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)C=O)F)C(F)(F)F

Technology Process of 2,6-Difluoro-4-(trifluoromethyl)benzaldehyde

There total 2 articles about 2,6-Difluoro-4-(trifluoromethyl)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: 62.0%

α,α,α,3,5-pentafluorotoluene (401-85-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,6-difluoro-4-(trifluoromethyl)benzaldehyde (134099-34-6)

Guidance literature:

α,α,α,3,5-pentafluorotoluene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 1h; Inert atmosphere;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -78 ℃; for 1h; Inert atmosphere;

Reference yield:

→ 2,6-difluoro-4-(trifluoromethyl)benzaldehyde (134099-34-6)

Guidance literature:

Reference yield:

2,6-difluoro-4-(trifluoromethyl)benzaldehyde (134099-34-6) → 1-(2,6-difluoro-4-(trifluoromethyl)phenyl)ethyl methanesulfonate

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 4 h / 0 - 20 °C / Inert atmosphere

2: triethylamine / dichloromethane / 2 h / 0 - 20 °C

With triethylamine; In tetrahydrofuran; dichloromethane; 1: |Grignard Reaction;

upstream raw materials:

α,α,α,3,5-pentafluorotoluene

N,N-dimethyl-formamide