2-Ethoxy-4,6-diphenyl-5-(trifluoromethanesulfonyl)-3,4-dihydro-2H-pyran

Base Information

• Chemical Name: 2-Ethoxy-4,6-diphenyl-5-(trifluoromethanesulfonyl)-3,4-dihydro-2H-pyran
• CAS No.: 905560-42-1
• Molecular Formula: C₂₀H₁₉F₃O₄S
• Molecular Weight: 412.43
• DSSTox Substance ID: DTXSID20702938
• Mol file: 905560-42-1.mol

Synonyms:DTXSID20702938;905560-42-1;2-Ethoxy-4,6-diphenyl-5-(trifluoromethanesulfonyl)-3,4-dihydro-2H-pyran

Chemical Property of 2-Ethoxy-4,6-diphenyl-5-(trifluoromethanesulfonyl)-3,4-dihydro-2H-pyran

Chemical Property:

• PSA: 60.98000
• LogP: 5.93730
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 412.09561474
• Heavy Atom Count: 28
• Complexity: 654

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1CC(C(=C(O1)C2=CC=CC=C2)S(=O)(=O)C(F)(F)F)C3=CC=CC=C3

Technology Process of 2-Ethoxy-4,6-diphenyl-5-(trifluoromethanesulfonyl)-3,4-dihydro-2H-pyran

There total 3 articles about 2-Ethoxy-4,6-diphenyl-5-(trifluoromethanesulfonyl)-3,4-dihydro-2H-pyran 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: 97.0%

(E)-1,3-diphenyl-2-trifluoromethylsulfonylprop-2-en-1-one + ethyl vinyl ether (109-92-2,25104-37-4) → 2-ethoxy-4,6-diphenyl-5-trifluoromethanesulfonyl-3,4-dihydro-2H-pyran (905560-42-1)

Guidance literature:

at 80 ℃; for 4h;

DOI:10.1016/j.tetlet.2006.04.156

Reference yield:

1-phenyl-2-((trifluoromethyl)sulfonyl)ethan-1-one (35896-48-1) → 2-ethoxy-4,6-diphenyl-5-trifluoromethanesulfonyl-3,4-dihydro-2H-pyran (905560-42-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / 4 Angstroem molecular sieves / ammonium acetate / benzene / 12 h / 20 °C

2: 97 percent / 4 h / 80 °C

With 4 A molecular sieve; ammonium acetate; In benzene; 1: Knoevenagel reaction / 2: hetero-Diels-Alder reaction;

DOI:10.1016/j.tetlet.2006.04.156

Reference yield:

benzaldehyde (100-52-7) → 2-ethoxy-4,6-diphenyl-5-trifluoromethanesulfonyl-3,4-dihydro-2H-pyran (905560-42-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / 4 Angstroem molecular sieves / ammonium acetate / benzene / 12 h / 20 °C

2: 97 percent / 4 h / 80 °C

With 4 A molecular sieve; ammonium acetate; In benzene; 1: Knoevenagel reaction / 2: hetero-Diels-Alder reaction;

DOI:10.1016/j.tetlet.2006.04.156

upstream raw materials:

ethyl vinyl ether

1-phenyl-2-((trifluoromethyl)sulfonyl)ethan-1-one

benzaldehyde