4-(2,2,3,3,4,4,4-Heptafluorobutoxy)benzaldehyde

Base Information

• Chemical Name: 4-(2,2,3,3,4,4,4-Heptafluorobutoxy)benzaldehyde
• CAS No.: 943767-44-0
• Molecular Formula: C₁₁H₇F₇O₂
• Molecular Weight: 304.164
• DSSTox Substance ID: DTXSID30895709
• Wikidata: Q82872005
• Mol file: 943767-44-0.mol

Synonyms:4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzaldehyde;943767-44-0;SCHEMBL3045965;DTXSID30895709;4-(2,2,3,3,4,4,4-Heptafluoro-butoxy)-benzaldehyde

Chemical Property of 4-(2,2,3,3,4,4,4-Heptafluorobutoxy)benzaldehyde

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 304.03342660
• Heavy Atom Count: 20
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-(2,2,3,3,4,4,4-Heptafluorobutoxy)benzaldehyde

There total 2 articles about 4-(2,2,3,3,4,4,4-Heptafluorobutoxy)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: 66.0%

2,2,3,3,4,4,4-heptafluorobutanol (375-01-9) + 4-bromo-benzaldehyde (1122-91-4) → 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzaldehyde (943767-44-0)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; caesium carbonate; In toluene; at 85 ℃; for 16h; Inert atmosphere;

DOI:10.1002/chem.201404121

Reference yield:

→ 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzaldehyde (943767-44-0)

Guidance literature:

upstream raw materials:

2,2,3,3,4,4,4-heptafluorobutanol

4-bromo-benzaldehyde