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

Base Information

• Chemical Name: Diethyl 4-(4-fluorophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate
• CAS No.: 3449-43-2
• Molecular Formula: C19H19F7O7
• Molecular Weight: 492.344
• NSC Number: 128812
• DSSTox Substance ID: DTXSID90956027
• Mol file: 3449-43-2.mol

Synonyms:3449-43-2;Diethyl 4-(4-fluorophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate;NSC128812;NSC 128812;diethyl 4-(4-fluorophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)oxane-3,5-dicarboxylate;DTXSID90956027;NSC-128812;diethyl 4-(4-fluorophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)tetrahydropyran-3,5-dicarboxylate

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

Chemical Property:

• Vapor Pressure: 8.55E-10mmHg at 25°C
• Boiling Point: 474.1°C at 760 mmHg
• Flash Point: 240.5°C
• Density: 1.486g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 492.10190008
• Heavy Atom Count: 33
• Complexity: 672

Purity/Quality:

95% ^*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=C(C=C2)F

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

There total 1 articles about Diethyl 4-(4-fluorophenyl)-2,6-dihydroxy-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:

4-fluorobenzaldehyde (459-57-4) + ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → 2,6-Dihydroxy-2,6-bis-trifluormethyl-4-<4-fluor-phenyl>-tetrahydropyran-dicarbonsaeure-(3,5)-diethylester (3449-43-2)

Guidance literature:

With potassium fluoride; In ethanol;

DOI:10.1021/jo01020a528

Reference yield:

2,6-Dihydroxy-2,6-bis-trifluormethyl-4-<4-fluor-phenyl>-tetrahydropyran-dicarbonsaeure-(3,5)-diethylester (3449-43-2) → 3-(4-fluorophenyl)pentan-1,5-dioic acid (3449-63-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo01020a528

upstream raw materials:

4-fluorobenzaldehyde

ethyl 4,4,4-trifluoroacetoacetate

Downstream raw materials:

3-(4-fluorophenyl)pentan-1,5-dioic acid