2,2,2-Trifluoro-1-[5-methoxy-2-(piperidin-1-yl)phenyl]ethane-1,1-diol

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-[5-methoxy-2-(piperidin-1-yl)phenyl]ethane-1,1-diol
• CAS No.: 88320-35-8
• Molecular Formula: C₁₄H₁₈F₃NO₃
• Molecular Weight: 305.297
• DSSTox Substance ID: DTXSID80579345
• Wikidata: Q82469837
• Mol file: 88320-35-8.mol

Synonyms:88320-35-8;DTXSID80579345;2,2,2-Trifluoro-1-[5-methoxy-2-(piperidin-1-yl)phenyl]ethane-1,1-diol

Chemical Property of 2,2,2-Trifluoro-1-[5-methoxy-2-(piperidin-1-yl)phenyl]ethane-1,1-diol

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 305.12387792
• Heavy Atom Count: 21
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)N2CCCCC2)C(C(F)(F)F)(O)O

Technology Process of 2,2,2-Trifluoro-1-[5-methoxy-2-(piperidin-1-yl)phenyl]ethane-1,1-diol

There total 5 articles about 2,2,2-Trifluoro-1-[5-methoxy-2-(piperidin-1-yl)phenyl]ethane-1,1-diol 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: 35.0%

N-(4-methoxylphenyl)piperidine (5097-25-6) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-1-<5-methoxy-2-(1-piperidinyl)phenyl>-1,1-ethanediol (88320-35-8) + 2,2,2-trifluoro-1-<5-methoxy-2-(1-piperidinyl)phenyl>ethanone (88320-33-6)

Guidance literature:

In tetrahydrofuran; at 40 ℃; for 20h; Yields of byproduct given;

Reference yield:

1,5-dibromo-pentane (111-24-0) → 2,2,2-trifluoro-1-<5-methoxy-2-(1-piperidinyl)phenyl>-1,1-ethanediol (88320-35-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyldiisopropylamine / toluene / Heating

2: 2.) H₂O / 1.) THF, 40 deg C

With water; N-ethyl-N,N-diisopropylamine; In toluene;

DOI:10.1016/S0040-4039(00)94316-8

Reference yield:

4-methoxy-aniline (104-94-9) → 2,2,2-trifluoro-1-<5-methoxy-2-(1-piperidinyl)phenyl>-1,1-ethanediol (88320-35-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyldiisopropylamine / toluene / Heating

2: 2.) H₂O / 1.) THF, 40 deg C

With water; N-ethyl-N,N-diisopropylamine; In toluene;

DOI:10.1016/S0040-4039(00)94316-8

upstream raw materials:

N-(4-methoxylphenyl)piperidine

trifluoroacetic anhydride

1,5-dibromo-pentane

4-methoxy-aniline