1-(3-Chlorophenyl)pyrrolidine

Base Information

• Chemical Name: 1-(3-Chlorophenyl)pyrrolidine
• CAS No.: 88154-24-9
• Molecular Formula: C₁₀H₁₂ClN
• Molecular Weight: 181.665
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50561111
• Nikkaji Number: J1.135.663J
• Wikidata: Q82444774
• Mol file: 88154-24-9.mol

Synonyms:1-(3-Chlorophenyl)pyrrolidine;88154-24-9;SCHEMBL1822683;DTXSID50561111;MFCD09878398;AKOS006346691;BS-22623;CS-0205814;A19261;1-AMINO-3-(3-CHLOROPHENOXY)PROPAN-2-OL

Chemical Property of 1-(3-Chlorophenyl)pyrrolidine

Chemical Property:

• PSA: 3.24000
• LogP: 3.00520
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 181.0658271
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Chlorophenyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC(=CC=C2)Cl

Technology Process of 1-(3-Chlorophenyl)pyrrolidine

There total 10 articles about 1-(3-Chlorophenyl)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: 96.0%

pyrrolidine (123-75-1) + 1-bromo-3-chlorobenzene (108-37-2) → N-(3-chlorophenyl)tetrahydropyrrole (88154-24-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; nickel(II) bromide dimethoxyethane; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In dimethyl sulfoxide; at 80 ℃; for 0.166667h; chemoselective reaction; Flow reactor; Sealed tube; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1021/acs.joc.9b03107

Reference yield: 94.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + N-ethyl-3-chloroaniline (15258-44-3) → N-(3-chlorophenyl)tetrahydropyrrole (88154-24-9)

Guidance literature:

With titanium tetrachloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; o-xylene; at 120 ℃; for 14h; Sealed tube;

DOI:10.1039/d0ob00880j

Reference yield: 92.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 3-chloro-aniline (108-42-9) → N-(3-chlorophenyl)tetrahydropyrrole (88154-24-9)

Guidance literature:

3-chloro-aniline; With 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate; at 90 ℃; for 0.25h;

tetrahydrofuran; at 110 ℃; for 10h; Sealed tube;

DOI:10.1016/j.tetlet.2019.06.019

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

3-chloro-aniline

pyrrolidine

1,3-Dichlorobenzene