1,3-Diphenyl-1H-pyrrole

Base Information

• Chemical Name: 1,3-Diphenyl-1H-pyrrole
• CAS No.: 53646-85-8
• Molecular Formula: C₁₆H₁₃N
• Molecular Weight: 219.286
• DSSTox Substance ID: DTXSID201314060
• Nikkaji Number: J671.606G
• Mol file: 53646-85-8.mol

Synonyms:1,3-Diphenyl-1H-pyrrole;1,3-diphenyl-1 h -pyrrole;SCHEMBL14007395;DTXSID201314060;53646-85-8

Chemical Property of 1,3-Diphenyl-1H-pyrrole

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 219.104799419
• Heavy Atom Count: 17
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN(C=C2)C3=CC=CC=C3

Technology Process of 1,3-Diphenyl-1H-pyrrole

There total 19 articles about 1,3-Diphenyl-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%

N-allyl-N-(2-phenylallyl)aniline → 1,3-diphenyl-1H-pyrrole (53646-85-8)

Guidance literature:

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; iron(III) chloride hexahydrate; In dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.joc.5b02581

Reference yield: 64.0%

1-phenylpyrrole (635-90-5) + iodobenzene (591-50-4) → 1,3-diphenyl-1H-pyrrole (53646-85-8)

Guidance literature:

With RhCl(CO){P[OCH(CF₃)₂]₃}₂; silver carbonate; In 1,2-dimethoxyethane; m-xylene; at 140 ℃; for 15h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/ja508449y

Reference yield: 60.0%

iodobenzene (591-50-4) + 1-phenyl-2,5-dihydro-1H-pyrrole (103204-12-2) → 1,3-diphenyl-1H-pyrrole (53646-85-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In toluene; at 80 ℃; for 1.16667h; Inert atmosphere;

DOI:10.3998/ark.5550190.0012.404

upstream raw materials:

2-chloro-1,4-diphenylpyrrole

hydrogen iodide

α-(2,2-diethoxyethyl)benzyl cyanide

phenylacetonitrile