Diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate

Base Information

• Chemical Name: Diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate
• CAS No.: 3449-44-3
• Molecular Formula: C19H20F6O7
• Molecular Weight: 474.3483
• NSC Number: 128814
• DSSTox Substance ID: DTXSID50956028

Synonyms:3449-44-3;Diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate;NSC128814;NSC 128814;diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)oxane-3,5-dicarboxylate;DTXSID50956028;NSC-128814;2,6-dihydroxy-2,6-di(tri-fluoromethyl)-3,5-diethoxycarbonyl-4-phenyltetra-hydropyran;diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydropyran-3,5-dicarboxylate

Chemical Property of Diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate

Chemical Property:

• Vapor Pressure: 7.88E-10mmHg at 25°C
• Boiling Point: 475°C at 760 mmHg
• Flash Point: 241.1°C
• Density: 1.451g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 474.11132195
• Heavy Atom Count: 32
• Complexity: 643

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(C(C(OC1(C(F)(F)F)O)(C(F)(F)F)O)C(=O)OCC)C2=CC=CC=C2

Technology Process of Diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate

There total 2 articles about Diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate 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: 74.0%

benzaldehyde (100-52-7) + ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate (3449-44-3)

Guidance literature:

With potassium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 65 ℃; for 8h; Sonication;

DOI:10.1134/S1070428010040020

Reference yield: 38.0%

ethyl 2-benzylidene-3-oxo-4,4,4-trifluorobutanoate → diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate (3449-44-3)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

DOI:10.1023/B:RUCB.0000042284.03940.41

Reference yield: 100.0%

diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate (3449-44-3) → 2,6-Dihydroxy-4-phenyl-2,6-bis-trifluoromethyl-piperidine-3,5-dicarboxylic acid diethyl ester

Guidance literature:

With ammonium hydroxide; In ethanol; for 2h; Heating;

upstream raw materials:

benzaldehyde

ethyl 4,4,4-trifluoroacetoacetate

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