1-(4-(Trifluoromethyl)phenyl)pyrrolidine

Base Information

• Chemical Name: 1-(4-(Trifluoromethyl)phenyl)pyrrolidine
• CAS No.: 113845-68-4
• Molecular Formula: C11H12F3N
• Molecular Weight: 215.21500
• DSSTox Substance ID: DTXSID50452611
• Nikkaji Number: J977.577C
• Mol file: 113845-68-4.mol

Synonyms:113845-68-4;1-(4-(Trifluoromethyl)phenyl)pyrrolidine;1-[4-(trifluoromethyl)phenyl]pyrrolidine;1-(4-Trifluoromethylphenyl)pyrrolidine;Pyrrolidine, 1-[4-(trifluoromethyl)phenyl]-;SCHEMBL13285321;DTXSID50452611;XAIOGMOTJLWPAJ-UHFFFAOYSA-N;MFCD16140176;AKOS005258100;1-(Trifluoromethyl)-4-pyrrolizinobenzene;BS-50768;1-[4-(Trifluoromethyl)phenyl]-pyrrolidine;CS-0227080;FT-0752307;A18094;E82531

Chemical Property of 1-(4-(Trifluoromethyl)phenyl)pyrrolidine

Chemical Property:

• PSA: 3.24000
• LogP: 3.37060
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.09218387
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

1-(4-(Trifluoromethyl)phenyl)pyrrolidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC=C(C=C2)C(F)(F)F

Technology Process of 1-(4-(Trifluoromethyl)phenyl)pyrrolidine

There total 18 articles about 1-(4-(Trifluoromethyl)phenyl)pyrrolidine 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%

pyrrolidine (123-75-1) + p-trifluoromethylphenyl bromide (402-43-7) → 1-(4(-trifluoromethyl)phenyl)pyrrolidine (113845-68-4)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; nickel(II) bromide dimethoxyethane; 6-(dimethylamino)-2,7-difluoro-9-mesityl-10-phenylacridin-10-ium-3-olate; In N,N-dimethyl acetamide; at -78 - 20 ℃; for 36h; Reagent/catalyst; Irradiation;

DOI:10.1021/acs.orglett.1c01673

Reference yield: 95.0%

pyrrolidine (123-75-1) + 4-chlorobenzotrifluoride (98-56-6) → 1-(4(-trifluoromethyl)phenyl)pyrrolidine (113845-68-4)

Guidance literature:

With polymethylhydrosiloxane; sodium t-butanolate; bis(acetylacetonate)nickel(II); In 1,2-dimethoxyethane; toluene; at 130 ℃; for 18h;

DOI:10.1021/jo702219f

Reference yield: 95.0%

pyrrolidine (123-75-1) + 4-Fluorobenzotrifluoride (402-44-8) → 1-(4(-trifluoromethyl)phenyl)pyrrolidine (113845-68-4)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; sodium t-butanolate; 1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene monohydrochloride; In toluene; at 100 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201300485

upstream raw materials:

pyrrolidine

4-chlorobenzotrifluoride

p-trifluorobenzene diazonium chloride

(4-[trifluoromethyl]phenyl) N,N-dimethylsulfamate