3,5-Difluorobenzhydrol

Base Information

• Chemical Name: 3,5-Difluorobenzhydrol
• CAS No.: 153877-56-6
• Molecular Formula: C₁₃H₁₀F₂O
• Molecular Weight: 220.219
• European Community (EC) Number: 642-489-9
• DSSTox Substance ID: DTXSID70934868
• Mol file: 153877-56-6.mol

Synonyms:3,5-Difluorobenzhydrol;153877-56-6;(3,5-difluorophenyl)-phenylmethanol;(3,5-difluorophenyl)(phenyl)methanol;Benzenemethanol, 3,5-difluoro-a-phenyl-;SCHEMBL12065137;DTXSID70934868;MFCD06201256;AKOS010334771

Chemical Property of 3,5-Difluorobenzhydrol

Chemical Property:

• Boiling Point: 307.3 °C at 760 mmHg
• Flash Point: 139.6 °C
• PSA: 20.23000
• Density: 1.254 g/cm³
• LogP: 2.01810
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.06997126
• Heavy Atom Count: 16
• Complexity: 206

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3,5-DIFLUOROBENZHYDROL ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC(=CC(=C2)F)F)O

Technology Process of 3,5-Difluorobenzhydrol

There total 5 articles about 3,5-Difluorobenzhydrol 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: 91.0%

3,5-difluorobenzaldehyde (32085-88-4) + phenylmagnesium bromide (100-58-3) → 3,5-difluoro-α-benzenemethanol (153877-56-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.11.010

Reference yield: 75.0%

(3,5-difluorophenyl)(phenyl)methanone (179113-89-4) → 3,5-difluoro-α-benzenemethanol (153877-56-6)

Guidance literature:

With lithium tert-butoxide; In isopropyl alcohol; at 20 ℃; for 24h; UV-irradiation;

DOI:10.1039/d1gc02449c

Reference yield: 70.0%

3,5-difluorobromobenzene (461-96-1) + benzaldehyde (100-52-7) → (3,5-difluorophenyl)(phenyl)methanone (179113-89-4) + 3,5-difluoro-α-benzenemethanol (153877-56-6)

Guidance literature:

3,5-difluorobromobenzene; With iodine; magnesium; In tetrahydrofuran; Reflux;

benzaldehyde; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1002/ejoc.200901400

upstream raw materials:

3,5-difluorobenzhydryl bromide

3,5-difluorobromobenzene

benzaldehyde

3,5-difluorobenzaldehyde

Downstream raw materials:

(3,5-difluorophenyl)(phenyl)methanone