2-[3-(Trifluoromethyl)phenyl]pyrrolidine

Base Information

• Chemical Name: 2-[3-(Trifluoromethyl)phenyl]pyrrolidine
• CAS No.: 109086-17-1
• Molecular Formula: C11H12F3N
• Molecular Weight: 215.218
• Hs Code.: 2933990090
• European Community (EC) Number: 822-985-3
• DSSTox Substance ID: DTXSID20392717
• Nikkaji Number: J1.808.086I
• Mol file: 109086-17-1.mol

Synonyms:109086-17-1;2-[3-(trifluoromethyl)phenyl]pyrrolidine;2-(3-(trifluoromethyl)phenyl)pyrrolidine;2-(3-Trifluoromethyl-phenyl)-pyrrolidine;MFCD02663523;Pyrrolidine, 2-[3-(trifluoromethyl)phenyl]-;Pyrrolidine,2-[3-(trifluoromethyl)phenyl]-;2-[3'-(Trifluoromethyl)phenyl]pyrrolidine;SCHEMBL9583353;DTXSID20392717;JLVNEMRUEAMGSZ-UHFFFAOYSA-N;STK893912;AKOS000152057;AKOS016346747;FS-1977;SB49916;CS-0130769;FT-0702242;A26419;EN300-1933284;4-(3-ACRYLOYLOXY-N-PROP-1-YLOXY)BENZOICACID

Chemical Property of 2-[3-(Trifluoromethyl)phenyl]pyrrolidine

Chemical Property:

• Vapor Pressure: 0.0525mmHg at 25°C
• Refractive Index: 1.473
• Boiling Point: 234.6 °C at 760 mmHg
• Flash Point: 95.7 °C
• PSA: 12.03000
• Density: 1.179 g/cm³
• LogP: 3.45870
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.09218387
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

2-[3-(Trifluoromethyl)phenyl]pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)C2=CC(=CC=C2)C(F)(F)F

Technology Process of 2-[3-(Trifluoromethyl)phenyl]pyrrolidine

There total 1 articles about 2-[3-(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:

1-ethenyl-2-pyrrolidinone (88-12-0) + ethyl 3-(trifluoromethyl)benzoate (76783-59-0) → 2-<3-(trifluoromethyl)phenyl>pyrrolidine (109086-17-1,1217777-12-2)

Guidance literature:

With hydrogenchloride; sodium tetrahydroborate; sodium hydride; Yield given. Multistep reaction;

DOI:10.1021/jm00391a028

Reference yield: 43.0%

6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine + 2-<3-(trifluoromethyl)phenyl>pyrrolidine (109086-17-1,1217777-12-2) → C21H21F3N6

Guidance literature:

With potassium fluoride; In dimethyl sulfoxide; at 180 ℃; for 1h; Microwave irradiation;

Reference yield:

MANDELIC ACID (611-71-2,611-72-3,17199-29-0,90-64-2) + 2-<3-(trifluoromethyl)phenyl>pyrrolidine (109086-17-1,1217777-12-2) → 2-Hydroxy-2-phenyl-1-[2-(3-trifluoromethyl-cyclohexa-1,4,5-trienyl)-pyrrolidin-1-yl]-ethanone

Guidance literature:

In xylene; for 40h; Heating;

DOI:10.1021/jm00391a028

upstream raw materials:

1-ethenyl-2-pyrrolidinone

ethyl 3-(trifluoromethyl)benzoate

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