3,5-DIHYDROXYBENZOTRIFLUORIDE

Base Information

• Chemical Name: 3,5-DIHYDROXYBENZOTRIFLUORIDE
• CAS No.: 454-68-2
• Molecular Formula: C7H5F3O2
• Molecular Weight: 178.111
• Hs Code.: 2908190090
• Mol file: 454-68-2.mol

Synonyms:3,5-DIHYDROXYBENZOTRIFLUORIDE

Chemical Property of 3,5-DIHYDROXYBENZOTRIFLUORIDE

Chemical Property:

• Melting Point: 65 °C
• Boiling Point: 104 °C(Press: 3 Torr)
• PKA: 8.45±0.10(Predicted)
• PSA: 40.46000
• Density: 1.486±0.06 g/cm3(Predicted)
• LogP: 2.11660

Purity/Quality:

98%min ^*data from raw suppliers

5-(Trifluoromethyl)benzene-1,3-diol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3,5-DIHYDROXYBENZOTRIFLUORIDE

There total 3 articles about 3,5-DIHYDROXYBENZOTRIFLUORIDE 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: 73.0%

3-amino-5-(1,1,1-trilfluoromethyl)phenol (401-86-5) → 5-(trifluoromethyl)phenyl-1,3-diol (454-68-2)

Guidance literature:

3-amino-5-(1,1,1-trilfluoromethyl)phenol; With sulfuric acid; water; sodium nitrite; at 0 ℃; for 0.25h;

With copper(II) sulfate; Saturated solution;

DOI:10.1021/acs.joc.7b01571

Reference yield:

3-nitro-5-(trifluoromethyl)phenol (349-57-5) → 5-(trifluoromethyl)phenyl-1,3-diol (454-68-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium sulfide / ethanol / 1.5 h / Reflux

1.2: 1 h / Reflux

2.1: water; sulfuric acid; sodium nitrite / 0.25 h / 0 °C

2.2: Saturated solution

With sodium sulfide; sulfuric acid; water; sodium nitrite; In ethanol;

DOI:10.1021/acs.joc.7b01571

Reference yield:

3-methoxy-5-(trifluoromethyl)phenol (349-56-4) → 5-(trifluoromethyl)phenyl-1,3-diol (454-68-2)

Guidance literature:

With hydrogen iodide;

DOI:10.1039/jr9510003235

upstream raw materials:

3-amino-5-(1,1,1-trilfluoromethyl)phenol

3-methoxy-5-(trifluoromethyl)phenol

3-nitro-5-(trifluoromethyl)phenol

Downstream raw materials:

1,3-bis-(4-nitro-benzoyloxy)-5-trifluoromethyl-benzene

2,6-dihydroxy-4-trifluoromethyl-benzoic acid

Refernces