1-(4-ethylphenyl)-1H-pyrrole

Base Information

• Chemical Name: 1-(4-ethylphenyl)-1H-pyrrole
• CAS No.: 383137-78-8
• Molecular Formula: C₁₂H₁₃N
• Molecular Weight: 171.242
• DSSTox Substance ID: DTXSID501309737
• Nikkaji Number: J2.932.968K
• Mol file: 383137-78-8.mol

Synonyms:1-(4-ethylphenyl)-1H-pyrrole;383137-78-8;1-(4-ethylphenyl)pyrrole;SCHEMBL5603565;DTXSID501309737;BBL022294;STK895521;AKOS000285870;NCGC00340288-01;CS-0363631;AB01332783-02

Chemical Property of 1-(4-ethylphenyl)-1H-pyrrole

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 171.104799419
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)N2C=CC=C2

Technology Process of 1-(4-ethylphenyl)-1H-pyrrole

There total 3 articles about 1-(4-ethylphenyl)-1H-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: 91.0%

4-ethyl-1-iodobenzene (25309-64-2) + 4R-4-hydroxyproline (51-35-4,30724-02-8) → 1‐(4‐ethylphenyl)‐1H‐pyrrole (383137-78-8)

Guidance literature:

With copper(II) ferrite; caesium carbonate; In dimethyl sulfoxide; at 100 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.01.075

Reference yield: 91.0%

N,N-diallyl-p-ethylaniline (1426303-19-6) → 1‐(4‐ethylphenyl)‐1H‐pyrrole (383137-78-8)

Guidance literature:

With Grubbs catalyst first generation; iron(III) chloride hexahydrate; oxygen; In dichloromethane; at 40 ℃; for 24h;

DOI:10.1021/om400046r

Reference yield:

pyrrole (109-97-7,30604-81-0) + 1-bromo-4-ethylbenzene (1585-07-5) → 1‐(4‐ethylphenyl)‐1H‐pyrrole (383137-78-8)

Guidance literature:

With caesium carbonate; at 135 ℃; for 24h;

DOI:10.1007/s10562-015-1523-6

upstream raw materials:

4-ethyl-1-iodobenzene

4R-4-hydroxyproline

N,N-diallyl-p-ethylaniline

pyrrole