2-Cyclohexyl-1-(4'-trifluoromethylbiphenyl-4-YL)ethanol

Base Information

• Chemical Name: 2-Cyclohexyl-1-(4'-trifluoromethylbiphenyl-4-YL)ethanol
• CAS No.: 871250-38-3
• Molecular Formula: C21H23F3O
• Molecular Weight: 348.408
• DSSTox Substance ID: DTXSID20697092
• Mol file: 871250-38-3.mol

Synonyms:871250-38-3;2-CYCLOHEXYL-1-(4'-TRIFLUOROMETHYLBIPHENYL-4-YL)ETHANOL;2-Cyclohexyl-1-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)ethanol;SCHEMBL2269472;DTXSID20697092;(+/-)-2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethanol;2-Cyclohexyl-1-[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]ethan-1-ol

Chemical Property of 2-Cyclohexyl-1-(4'-trifluoromethylbiphenyl-4-YL)ethanol

Chemical Property:

• PSA: 20.23000
• Density: 1.154
• LogP: 6.37620
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 348.17009984
• Heavy Atom Count: 25
• Complexity: 386

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CC(C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)O

Technology Process of 2-Cyclohexyl-1-(4'-trifluoromethylbiphenyl-4-YL)ethanol

There total 1 articles about 2-Cyclohexyl-1-(4'-trifluoromethylbiphenyl-4-YL)ethanol 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: 47.0%

cyclohexylmethyl magnesium bromide (35166-78-0) + 4-(4-trifluoromethylphenyl)benzaldehyde (90035-34-0) → (R,S)-2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethanol (871250-38-3)

Guidance literature:

cyclohexylmethyl magnesium bromide; 4-(4-trifluoromethylphenyl)benzaldehyde; In tetrahydrofuran; at 0 ℃; for 0.333333h;

With water; ammonium chloride; In tetrahydrofuran;

Reference yield: 71.0%

(R,S)-2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethanol (871250-38-3) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → (R,S)-4-[2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethoxy]-benzoic acid methyl ester (871250-52-1)

Guidance literature:

With triphenylphosphine; 1,1'-azodicarbonyl-dipiperidine; In toluene; for 96h;

Reference yield: 60.0%

3-(4-hydroxy-benzoylamino)-propionic acid tert-butyl ester (871250-54-3) + (R,S)-2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethanol (871250-38-3) → 3-{4-[2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethoxy]-benzoylamino}-propionic acid tert-butyl ester (871250-53-2)

Guidance literature:

With triphenylphosphine; 1,1'-azodicarbonyl-dipiperidine; In toluene; for 72h;

upstream raw materials:

cyclohexylmethyl magnesium bromide

4-(4-trifluoromethylphenyl)benzaldehyde

Downstream raw materials:

(R,S)-4-[2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethoxy]-benzoic acid methyl ester

3-{4-[2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethoxy]-benzoylamino}-propionic acid tert-butyl ester

(R,S)-3-{4-[2-cyclohexyl-1-(4'-trifluoromethyl-biphenyl-4-yl)-ethoxy]-benzoylamino}-propionic acid methyl ester

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