4-(2,2,2-Trifluoroethyl)benzaldehyde

Base Information

• Chemical Name: 4-(2,2,2-Trifluoroethyl)benzaldehyde
• CAS No.: 1360594-78-0
• Molecular Formula: C₉H₇F₃O
• Molecular Weight: 188.149
• European Community (EC) Number: 878-789-3

Synonyms:4-(2,2,2-TRIFLUOROETHYL)BENZALDEHYDE;1360594-78-0;SCHEMBL6536342;PCYNRZZHBBBWCC-UHFFFAOYSA-N;MFCD22063115;ZB0488;AB76687;BS-40244;EN300-342166;F88310;Z1416161228

Chemical Property of 4-(2,2,2-Trifluoroethyl)benzaldehyde

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 188.04489933
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

4-(2,2,2-trifluoroethyl)benzaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(F)(F)F)C=O

Technology Process of 4-(2,2,2-Trifluoroethyl)benzaldehyde

There total 8 articles about 4-(2,2,2-Trifluoroethyl)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: 96.0%

1,1,1-trifluoro-2-iodoethane (353-83-3) + p-(iodophenyl)carboxaldehyde (15164-44-0) → 4-(2,2,2-trifluoroethyl)benzaldehyde (1360594-78-0)

Guidance literature:

With nickel(II) iodide; 1,1'-bis-(diphenylphosphino)ferrocene; manganese; 4,4'-di-tert-butyl-2,2'-bipyridine; In N,N-dimethyl acetamide; at 80 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.202000985

Reference yield: 70.0%

1,1,1-trifluoro-2-chloroethane (75-88-7) + 4-formylphenylboronic acid, (87199-17-5) → 4-(2,2,2-trifluoroethyl)benzaldehyde (1360594-78-0)

Guidance literature:

With [2,2]bipyridinyl; nickel(II) bromide dimethoxyethane; potassium phosphate; In 1,2-dimethoxyethane; at 80 ℃; for 30h; Inert atmosphere; Sealed tube;

Reference yield: 70.0%

1,1,1-trifluoro-2-iodoethane (353-83-3) + 4-formylphenylboronic acid, (87199-17-5) → 4-(2,2,2-trifluoroethyl)benzaldehyde (1360594-78-0)

Guidance literature:

1,1,1-trifluoro-2-iodoethane; 4-formylphenylboronic acid,; With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 20 ℃; for 0.0166667h; Inert atmosphere;

With water; In 1,4-dioxane; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201106742

upstream raw materials:

1,1,1-trifluoro-2-iodoethane

4-formylphenylboronic acid,

p-(iodophenyl)carboxaldehyde

1,1,1-trifluoro-2-chloroethane

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