(4'-Fluoro-5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-YL)methanol

Base Information

• Chemical Name: (4'-Fluoro-5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-YL)methanol
• CAS No.: 875548-97-3
• Molecular Formula: C18H18F4O2
• Molecular Weight: 342.333
• European Community (EC) Number: 635-850-7
• UNII: ETM5V37JXJ
• DSSTox Substance ID: DTXSID301128094
• Nikkaji Number: J2.940.837H
• Mol file: 875548-97-3.mol

Synonyms:875548-97-3;(4'-FLUORO-5'-ISOPROPYL-2'-METHOXY-4-TRIFLUOROMETHYL-BIPHENYL-2-YL)METHANOL;{2-[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]-5-(trifluoromethyl)phenyl}methanol;[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol;4'-FLUORO-2'-METHOXY-5'-ISOPROPYL-4-TRIFLUOROMETHYL-1,1'-BIPHENYL-2-METHANOL;(4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanol;(2-(4-fluoro-2-methoxy-5-(propan-2-yl)phenyl)-5-(trifluoromethyl)phenyl)methanol;ETM5V37JXJ;SCHEMBL531582;AMY8599;DTXSID301128094;BCP15136;MFCD16294184;PB15219;AC-31128;AS-73357;CS-0008231;P11866;2'-Methoxy-4'-fluoro-5'-isopropyl-4-(trifluoromethyl)biphenyl-2-methanol;[1,1'-Biphenyl]-2-methanol, 4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)-;[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl]methanol;[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methanol;4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-methanol;4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-methanol

Chemical Property of (4'-Fluoro-5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-YL)methanol

Chemical Property:

• Boiling Point: 364.5±42.0 °C(Predicted)
• PKA: 14.01±0.10(Predicted)
• PSA: 29.46000
• Density: 1.221±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 5.13580
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 342.12429246
• Heavy Atom Count: 24
• Complexity: 399

Purity/Quality:

97% ^*data from raw suppliers

(4'-Fluoro-5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-yl)methanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4'-Fluoro-5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-YL)methanol

There total 40 articles about (4'-Fluoro-5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-YL)methanol 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: 98.0%

(4'-fluoro-2'-methoxy-5'-(prop-1-en-2-yl)-4-(trifluoromethyl)biphenyl-2-yl)methanol (1383814-85-4) → (4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanol (875548-97-3)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; at 20 ℃; under 1551.49 Torr; Inert atmosphere;

Reference yield: 97.0%

[2-iodo-5-(trifluoromethyl)phenyl]methanol (702641-05-2) + [4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid (875446-29-0) → (4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanol (875548-97-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; benzene; for 24h; Inert atmosphere; Reflux;

DOI:10.1021/jm200484c

Reference yield: 94.0%

methyl 4'-fluoro-5'-(isopropyl)-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylate (1370452-47-3) → (4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanol (875548-97-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1039/d1cc01047f

upstream raw materials:

[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid

(2-chloro-5-(trifluoromethyl)phenyl)methanol

[2-iodo-5-(trifluoromethyl)phenyl]methanol

2-(bromomethyl)-1-iodo-4-(trifluoromethyl)benzene

Downstream raw materials:

(+)-(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one

(-)-(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one

(+)-(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,5-dimethyl-1,3-oxazolidin-2-one

5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one

Refernces

• 1、 -. "Anacetrapib key intermediate as well as synthesis method and application thereof". Paragraph 0098; 0118-0121. . Retrieved 2021/06/21.
• 2、 -. "Process for a CETP Inhibitor". Paragraph 0045; 0046. . Retrieved 2014/10/16.