2-Quinolin-2-yl-1-(4-trifluoromethylphenyl)ethanol

Base Information

• Chemical Name: 2-Quinolin-2-yl-1-(4-trifluoromethylphenyl)ethanol
• CAS No.: 496947-30-9
• Molecular Formula: C18H14F3NO
• Molecular Weight: 317.31
• Hs Code.: 2933499090
• European Community (EC) Number: 671-766-7
• DSSTox Substance ID: DTXSID20381207
• Mol file: 496947-30-9.mol

Synonyms:496947-30-9;2-Quinolin-2-yl-1-(4-trifluoromethylphenyl)ethanol;2-(Quinolin-2-yl)-1-(4-(trifluoromethyl)phenyl)ethanol;2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol;2-(2-quinolyl)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol;DTXSID20381207;MFCD03424493;AKOS015854258;SB73041;BS-49396;CS-0155989;E76033;2-(quinolin-2-yl)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol

Chemical Property of 2-Quinolin-2-yl-1-(4-trifluoromethylphenyl)ethanol

Chemical Property:

• Melting Point: 171～173℃
• PSA: 33.12000
• LogP: 4.52970
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 317.10274856
• Heavy Atom Count: 23
• Complexity: 379

Purity/Quality:

97% ^*data from raw suppliers

2-Quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)CC(C3=CC=C(C=C3)C(F)(F)F)O

Technology Process of 2-Quinolin-2-yl-1-(4-trifluoromethylphenyl)ethanol

There total 2 articles about 2-Quinolin-2-yl-1-(4-trifluoromethylphenyl)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: 67.0%

2-methylquinoline (91-63-4) + 4-(trifluoromethyl)benzylic alcohol (349-95-1) → 1‐(4‐trifluoromethylphenyl)‐2-(quinolin‐2‐yl)ethanol (496947-30-9)

Guidance literature:

With α-chymotrypsin; In water; at 60 ℃; for 84h; Green chemistry; Enzymatic reaction;

DOI:10.1002/jhet.3712

Reference yield:

4-Trifluoromethylbenzaldehyde (455-19-6) + 2-methylquinoline (91-63-4) → 1‐(4‐trifluoromethylphenyl)‐2-(quinolin‐2‐yl)ethanol (496947-30-9)

Guidance literature:

2-methylquinoline; With n-butyllithium; In diethyl ether; hexane; at 0 - 20 ℃; for 1.16667h; Inert atmosphere;

4-Trifluoromethylbenzaldehyde; In diethyl ether; hexane; at -30 ℃; Inert atmosphere;

DOI:10.1021/jo900073z

Reference yield:

1‐(4‐trifluoromethylphenyl)‐2-(quinolin‐2‐yl)ethanol (496947-30-9) → (Z)-1-(4-(trifluoromethyl)phenyl)-2-(quinolin-2-yl)ethenol (1139921-86-0)

Guidance literature:

1‐(4‐trifluoromethylphenyl)‐2-(quinolin‐2‐yl)ethanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 - 20 ℃; Inert atmosphere;

With triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/jo900073z

upstream raw materials:

4-Trifluoromethylbenzaldehyde

2-methylquinoline

4-(trifluoromethyl)benzylic alcohol

Downstream raw materials:

(Z)-1-(4-(trifluoromethyl)phenyl)-2-(quinolin-2-yl)ethenol

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