2-(4-Fluorobenzyl)pyrrolidine

Base Information

• Chemical Name: 2-(4-Fluorobenzyl)pyrrolidine
• CAS No.: 350017-04-8
• Molecular Formula: C₁₁H₁₄FN
• Molecular Weight: 179.237
• European Community (EC) Number: 826-521-0
• DSSTox Substance ID: DTXSID10408932
• Mol file: 350017-04-8.mol

Synonyms:2-(4-fluorobenzyl)pyrrolidine;350017-04-8;2-[(4-fluorophenyl)methyl]pyrrolidine;2-(4-FLUORO-BENZYL)-PYRROLIDINE;MFCD02663476;SCHEMBL1673353;DTXSID10408932;AKOS000153807;AKOS016343667;AB12055;NS-01548;Pyrrolidine,2-[(4-fluorophenyl)methyl]-;BB 0249516;CS-0216562;FT-0766499;EN300-51384;A822501;Z281773862

Chemical Property of 2-(4-Fluorobenzyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 0.019mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 253.003 °C at 760 mmHg
• Flash Point: 106.813 °C
• PSA: 12.03000
• Density: 1.072 g/cm³
• LogP: 2.44900
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.111027613
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-fluorobenzyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(NC1)CC2=CC=C(C=C2)F

Technology Process of 2-(4-Fluorobenzyl)pyrrolidine

There total 4 articles about 2-(4-Fluorobenzyl)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:

4-fluorobenzeneacetic acid methyl ester (34837-84-8) → 2-(4-fluorobenzyl)pyrrolidine (350017-04-8)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / o-xylene / Reflux

2: borane-THF / ethanol / 4 h

3: sodium hydroxide / toluene / 24 h / Reflux

4: sodium tetrahydroborate / methanol / 6 h / 20 °C

With sodium tetrahydroborate; borane-THF; potassium carbonate; sodium hydroxide; In methanol; ethanol; o-xylene; toluene;

Reference yield:

5-(4-fluorobenzyl)-3,4-dihydro-2H-pyrrole (113700-23-5) → 2-(4-fluorobenzyl)pyrrolidine (350017-04-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 6h;

Reference yield:

p-Fluorophenylacetic acid (405-50-5) → 2-(4-fluorobenzyl)pyrrolidine (350017-04-8)

Guidance literature:

Multi-step reaction with 5 steps

1: methylbenzenesulfonic acid / 24 h / 20 °C

2: potassium carbonate / o-xylene / Reflux

3: borane-THF / ethanol / 4 h

4: sodium hydroxide / toluene / 24 h / Reflux

5: sodium tetrahydroborate / methanol / 6 h / 20 °C

With sodium tetrahydroborate; borane-THF; potassium carbonate; sodium hydroxide; In methanol; ethanol; o-xylene; toluene;

upstream raw materials:

p-Fluorophenylacetic acid

4-fluorobenzeneacetic acid methyl ester

5-(4-fluorobenzyl)-3,4-dihydro-2H-pyrrole

Refernces