3-(2,2,2-Trifluoroethoxy)benzaldehyde

Base Information

• Chemical Name: 3-(2,2,2-Trifluoroethoxy)benzaldehyde
• CAS No.: 155908-58-0
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Hs Code.: 2912490090
• European Community (EC) Number: 817-555-7
• Mol file: 155908-58-0.mol

Synonyms:3-(2,2,2-trifluoroethoxy)benzaldehyde;155908-58-0;3-(2,2,2-Trifluoroethoxy)-benzaldehyde;SCHEMBL2536091;MFCD07432793;AKOS000190200;3-(2.2,2-trifluoroethoxy)benzaldehyde;3-(2.2.2-trifluoroethoxy)benzaIdehyde;VS-01349;CS-0216365;EN300-40956;C77930;Z295452960

Chemical Property of 3-(2,2,2-Trifluoroethoxy)benzaldehyde

Chemical Property:

• Boiling Point: 230.4±40.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.292±0.06 g/cm3(Predicted)
• LogP: 2.44020
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 204.03981395
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

3-(2,2,2-trifluoroethoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2,2,2-Trifluoroethoxy)benzaldehyde

There total 3 articles about 3-(2,2,2-Trifluoroethoxy)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: 95.0%

2,2,2-trifluoroethyl trifluoromethanesulphonate (6226-25-1) + meta-hydroxybenzaldehyde (100-83-4) → 3-(2,2,2-trifluoroethoxybenzaldehyde) (155908-58-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield: 26.0%

2,2,2-Trifluoroethyl p-toluenesulfonate (433-06-7) + meta-hydroxybenzaldehyde (100-83-4) → 3-(2,2,2-trifluoroethoxybenzaldehyde) (155908-58-0)

Guidance literature:

2,2,2-Trifluoroethyl p-toluenesulfonate; meta-hydroxybenzaldehyde; With sodium methylate; In methanol;

With 1-Methylpyrrolidine; at 90 ℃; for 24h; Further stages.;

DOI:10.1021/jm020038h

Reference yield:

C8H8BF12O4(1-)*Na(1+) + m-Chlorobenzaldehyde (587-04-2) → 3-(2,2,2-trifluoroethoxybenzaldehyde) (155908-58-0)

Guidance literature:

m-Chlorobenzaldehyde; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tert-butyl XPhos; In tert-Amyl alcohol; at 20 ℃; for 0.0833333h; Inert atmosphere;

C₈H₈BF₁₂O₄^(1-)*Na⁽¹⁺⁾; In tert-Amyl alcohol; at 100 ℃; for 56h; Inert atmosphere;

DOI:10.1002/chem.201704205

upstream raw materials:

2,2,2-Trifluoroethyl p-toluenesulfonate

meta-hydroxybenzaldehyde

m-Chlorobenzaldehyde

2,2,2-trifluoroethyl trifluoromethanesulphonate

Downstream raw materials:

(3-phenoxy-phenyl)-[3-(2,2,2-trifluoro-ethoxy)-benzyl]-amine

(3-(2,2,2-trifluoroethoxy)phenyl)methanamine