1H-Pyrrole, 1-(4-chlorophenyl)-2-(4-cyclohexylphenyl)-5-methyl-

Base Information

• Chemical Name: 1H-Pyrrole, 1-(4-chlorophenyl)-2-(4-cyclohexylphenyl)-5-methyl-
• CAS No.: 91306-76-2
• Molecular Formula: C23H24ClN
• Molecular Weight: 349.8964
• DSSTox Substance ID: DTXSID90238491
• Wikidata: Q83120795
• Mol file: 91306-76-2.mol

Synonyms:1-(4-Chlorophenyl)-2-(4-cyclohexylphenyl)-5-methyl-1H-pyrrole;1H-Pyrrole, 1-(4-chlorophenyl)-2-(4-cyclohexylphenyl)-5-methyl-;91306-76-2;C23H24ClN;C23-H24-Cl-N;DTXSID90238491;LS-136881

Chemical Property of 1H-Pyrrole, 1-(4-chlorophenyl)-2-(4-cyclohexylphenyl)-5-methyl-

Chemical Property:

• Vapor Pressure: 3.08E-09mmHg at 25°C
• Boiling Point: 489.1°Cat760mmHg
• Flash Point: 249.6°C
• Density: 1.13g/cm³
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 349.1597275
• Heavy Atom Count: 25
• Complexity: 402

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C4CCCCC4

Technology Process of 1H-Pyrrole, 1-(4-chlorophenyl)-2-(4-cyclohexylphenyl)-5-methyl-

There total 3 articles about 1H-Pyrrole, 1-(4-chlorophenyl)-2-(4-cyclohexylphenyl)-5-methyl- 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: 79.0%

4-chloro-aniline (106-47-8) + (cyclohexyl-4-phenyl)-1-pentanedione-1,4 (91306-67-1) → 1-(4-Chloro-phenyl)-2-(4-cyclohexyl-phenyl)-5-methyl-1H-pyrrole (91306-76-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 6h; Heating;

Reference yield:

4-oxo-pentanoyl chloride (1490-24-0) → 1-(4-Chloro-phenyl)-2-(4-cyclohexyl-phenyl)-5-methyl-1H-pyrrole (91306-76-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 42 percent / AlCl₃ / CH₂Cl₂ / 5 h / Ambient temperature

2: 79 percent / p-toluene sulphonic acid / toluene / 6 h / Heating

With aluminium trichloride; toluene-4-sulfonic acid; In dichloromethane; toluene;

Reference yield:

1-phenyl-1-cyclohexane (827-52-1,5379-26-0) → 1-(4-Chloro-phenyl)-2-(4-cyclohexyl-phenyl)-5-methyl-1H-pyrrole (91306-76-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 42 percent / AlCl₃ / CH₂Cl₂ / 5 h / Ambient temperature

2: 79 percent / p-toluene sulphonic acid / toluene / 6 h / Heating

With aluminium trichloride; toluene-4-sulfonic acid; In dichloromethane; toluene;

upstream raw materials:

4-chloro-aniline

(cyclohexyl-4-phenyl)-1-pentanedione-1,4

4-oxo-pentanoyl chloride

1-phenyl-1-cyclohexane

Downstream raw materials:

[1-(4-Chloro-phenyl)-5-(4-cyclohexyl-phenyl)-2-methyl-1H-pyrrol-3-yl]-oxo-acetic acid ethyl ester