4,5-Diethylpyrrolo[1,2-A]quinoline

Base Information

• Chemical Name: 4,5-Diethylpyrrolo[1,2-A]quinoline
• CAS No.: 624739-90-8
• Molecular Formula: C16H17N
• Molecular Weight: 223.318
• DSSTox Substance ID: DTXSID20469817
• Nikkaji Number: J1.971.142K
• Wikidata: Q82297696
• Mol file: 624739-90-8.mol

Synonyms:4,5-DIETHYLPYRROLO[1,2-A]QUINOLINE;624739-90-8;DTXSID20469817

Chemical Property of 4,5-Diethylpyrrolo[1,2-A]quinoline

Chemical Property:

• PSA: 4.41000
• LogP: 4.21730
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 223.136099547
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

4,5-DIETHYLPYRROLO[1,2-A]QUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C2=CC=CN2C3=CC=CC=C31)CC

Technology Process of 4,5-Diethylpyrrolo[1,2-A]quinoline

There total 2 articles about 4,5-Diethylpyrrolo[1,2-A]quinoline 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: 68.0%

1-phenylpyrrole (635-90-5) + hex-3-yne (928-49-4) → 4,5-diethyl-pyrrolo[1,2-a]quinoline (624739-90-8)

Guidance literature:

1-phenylpyrrole; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; at -78 ℃;

With chromium(III) chloride; In tetrahydrofuran; hexane; at 20 ℃; for 1h;

hex-3-yne; In tetrahydrofuran; hexane; at 50 ℃; for 12h;

DOI:10.1021/ol052214x

Reference yield: 15.0%

pyrrole (109-97-7,30604-81-0) + (Z)-1-iodo-2-(4-iodohex-3-en-3-yl)benzene → 4,5-diethyl-pyrrolo[1,2-a]quinoline (624739-90-8)

Guidance literature:

With copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; at 160 ℃; for 48h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol1026365

Reference yield: 49.0%

4,5-diethyl-pyrrolo[1,2-a]quinoline (624739-90-8) + 1,2-bis(4-methylphenyl)acetylene (2789-88-0) → 3,4-diethyl-8,9-di-p-tolyl-9b-azacyclopenta[cd]phenalene

Guidance literature:

4,5-diethyl-pyrrolo[1,2-a]quinoline; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; at -78 ℃; for 1h;

With chromium(III) chloride; In tetrahydrofuran; hexane; at 20 ℃; for 1h;

1,2-bis(4-methylphenyl)acetylene; In tetrahydrofuran; hexane; at 50 ℃; for 12h;

DOI:10.1021/ol052214x

upstream raw materials:

1-phenylpyrrole

hex-3-yne

pyrrole