2-(4-Chlorobenzyl)pyrrole

Base Information

• Chemical Name: 2-(4-Chlorobenzyl)pyrrole
• CAS No.: 86770-47-0
• Molecular Formula: C₁₁H₁₀ClN
• Molecular Weight: 191.66
• DSSTox Substance ID: DTXSID401286877
• Nikkaji Number: J2.936.136C

Synonyms:2-(4-chlorobenzyl)pyrrole;SCHEMBL11385118;XGOXHHTWVHVHDQ-UHFFFAOYSA-N;2-(4-chloro-benzyl)-1h-pyrrole;DTXSID401286877;2-[(4-chlorophenyl)methyl]-1H-pyrrole;86770-47-0

Chemical Property of 2-(4-Chlorobenzyl)pyrrole

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 191.0501770
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CNC(=C1)CC2=CC=C(C=C2)Cl

Technology Process of 2-(4-Chlorobenzyl)pyrrole

There total 3 articles about 2-(4-Chlorobenzyl)pyrrole 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: 86.0%

pyrrole (109-97-7,30604-81-0) + 4-chlorobenzyl bromide (622-95-7) → 2-(p-chlorobenzyl)pyrrole (86770-47-0)

Guidance literature:

pyrrole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h; Inert atmosphere;

With zirconium(IV) chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

4-chlorobenzyl bromide; In tetrahydrofuran; hexane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/aoc.1759

Reference yield: 85.0%

2-(4-chlorobenzoyl)pyrrole (13169-71-6) → 2-(p-chlorobenzyl)pyrrole (86770-47-0)

Guidance literature:

With hydrazine hydrate; In various solvent(s);

Reference yield: 82.0%

4-[(4-Chloro-phenyl)-(1H-pyrrol-2-yl)-methylene]-morpholin-4-ium; GENERIC INORGANIC ANION → 2-(p-chlorobenzyl)pyrrole (86770-47-0)

Guidance literature:

With lithium borohydride; trichlorophosphate; In tetrahydrofuran; 1,2-dichloro-ethane; at 0 ℃; for 2h;

upstream raw materials:

2-(4-chlorobenzoyl)pyrrole

pyrrole

4-chlorobenzyl bromide

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