2-(4-Chlorophenyl)-2-pyrrolidin-1-ylethanamine

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-2-pyrrolidin-1-ylethanamine
• CAS No.: 915923-59-0
• Molecular Formula: C12H17ClN2
• Molecular Weight: 224.733
• Hs Code.: 2933990090
• European Community (EC) Number: 860-928-4
• DSSTox Substance ID: DTXSID70585899
• Mol file: 915923-59-0.mol

Synonyms:915923-59-0;2-(4-CHLOROPHENYL)-2-PYRROLIDIN-1-YLETHANAMINE;2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethanamine;2-(4-Chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-amine;2-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethylamine;2-(4-Chlorophenyl)-2-(1-pyrrolidinyl)ethanamine;SCHEMBL16461973;DTXSID70585899;UZOHZMOJLIOLON-UHFFFAOYSA-N;MFCD08667749;AKOS000139866;AKOS016041784;NCGC00324809-01;VS-10206;CS-0251543;G56357;AB01320185-02;EN300-5514509

Chemical Property of 2-(4-Chlorophenyl)-2-pyrrolidin-1-ylethanamine

Chemical Property:

• Vapor Pressure: 0.000311mmHg at 25°C
• Boiling Point: 320.7°C at 760 mmHg
• Flash Point: 147.8°C
• PSA: 29.26000
• Density: 1.176g/cm³
• LogP: 3.07380
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.1080262
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(4-Chlorophenyl)-2-pyrrolidin-1-ylethanamine

There total 2 articles about 2-(4-Chlorophenyl)-2-pyrrolidin-1-ylethanamine 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: 30.0%

lithium aluminium tetrahydride (16853-85-3) + 2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)acetonitrile (64661-37-6) → 2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethanamine (915923-59-0)

Guidance literature:

In tetrahydrofuran; Reflux;

Reference yield:

4-chlorobenzaldehyde (104-88-1) → 2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethanamine (915923-59-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: zinc(II) iodide / tetrahydrofuran / 0.25 h / 0 °C

1.2: 20 °C

2.1: tetrahydrofuran / Reflux

With zinc(II) iodide; In tetrahydrofuran;

Reference yield: 48.0%

ethyl 2-((4-chloro-3-fluorophenyl)amino)-2-oxoacetate (1226789-23-6) + 2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethanamine (915923-59-0) → C20H20Cl2FN3O2 (1226789-07-6)

Guidance literature:

In ethanol; at 20 ℃; Inert atmosphere; Microwave irradiation; Sealed tube; Heating;

DOI:10.1016/j.bmc.2010.11.049

upstream raw materials:

4-chlorobenzaldehyde

lithium aluminium tetrahydride

2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)acetonitrile

Downstream raw materials:

C₂₀H₂₀Cl₂FN₃O₂

Refernces