2,3-Difluoro-4-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2,3-Difluoro-4-(trifluoromethyl)benzaldehyde
• CAS No.: 134099-20-0
• Molecular Formula: C8H3F5O
• Molecular Weight: 210.103
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID20407471
• Wikidata: Q72464364
• Mol file: 134099-20-0.mol

Synonyms:2,3-difluoro-4-(trifluoromethyl)benzaldehyde;134099-20-0;SCHEMBL472405;DTXSID20407471;MFCD00236254;AKOS015890225;s10114;PS-11414;CS-0204992;FT-0643214;A806731;2,3-bis(fluoranyl)-4-(trifluoromethyl)benzaldehyde

Chemical Property of 2,3-Difluoro-4-(trifluoromethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.402mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 196.3 °C at 760 mmHg
• Flash Point: 72.7 °C
• PSA: 17.07000
• Density: 1.468 g/cm³
• LogP: 2.79610
• 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: 214

Purity/Quality:

97% ^*data from raw suppliers

2,3-Difluoro-4-(Trifluoromethyl)Benzaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C=O)F)F)C(F)(F)F

Technology Process of 2,3-Difluoro-4-(trifluoromethyl)benzaldehyde

There total 1 articles about 2,3-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:

1,2-difluoro-3-(trifluoromethyl)benzene (64248-59-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,3-difluoro-4-(trifluoromethyl)benzaldehyde (134099-20-0)

Guidance literature:

1,2-difluoro-3-(trifluoromethyl)benzene; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -60 - -50 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -50 - -10 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2016.07.038

Reference yield: 60.0%

2,3-difluoro-4-(trifluoromethyl)benzaldehyde (134099-20-0) + 1-(toluene-4-sulfonyl)-ethyl isocyanide (58379-80-9) → 5-(2,3-difluoro-4-(trifluoromethyl)phenyl)-4-methyloxazole (1146696-25-4)

Guidance literature:

With potassium carbonate; In methanol; for 2h; Heating / reflux;

Reference yield:

2,3-difluoro-4-(trifluoromethyl)benzaldehyde (134099-20-0) + sodium methansulfinate (20277-69-4) → 3-fluoro-2-(methylsulfonyl)-4-(trifluoromethyl)benzaldehyde

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2016.07.038

upstream raw materials:

1,2-difluoro-3-(trifluoromethyl)benzene

N,N-dimethyl-formamide

Downstream raw materials:

5-(2,3-difluoro-4-(trifluoromethyl)phenyl)-4-methyloxazole