2,5-Diphenyl-1H-pyrrole

Base Information

• Chemical Name: 2,5-Diphenyl-1H-pyrrole
• CAS No.: 838-40-4
• Molecular Formula: C16H13 N
• Molecular Weight: 219.286
• Hs Code.: 2933990090
• NSC Number: 56185
• DSSTox Substance ID: DTXSID70288499
• Nikkaji Number: J352.632A
• Wikidata: Q82024930
• ChEMBL ID: CHEMBL1707114
• Mol file: 838-40-4.mol

Synonyms:2,5-Diphenyl-1H-pyrrole;838-40-4;2,5-diphenylpyrrole;1H-Pyrrole, 2,5-diphenyl-;MLS002667802;NSC56185;2,5-diphenyl-1H-pyrrol;2,5-Diphenyl-1H-pyrrole #;SCHEMBL1536003;CHEMBL1707114;RJCRXUOYULQDPG-UHFFFAOYSA-;DTXSID70288499;HMS3079H14;AMY31815;MFCD00767151;NSC-56185;STK366547;AKOS005175065;SB62942;LS-04766;SMR001557560;AH-357/03542020;InChI=1/C16H13N/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12,17H

Chemical Property of 2,5-Diphenyl-1H-pyrrole

Chemical Property:

• Vapor Pressure: 1.02E-06mmHg at 25°C
• Boiling Point: 415.1°C at 760 mmHg
• Flash Point: 174.5°C
• PSA: 15.79000
• Density: 1.105g/cm³
• LogP: 4.34870
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 219.104799419
• Heavy Atom Count: 17
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

2,5-Diphenyl-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(N2)C3=CC=CC=C3

Technology Process of 2,5-Diphenyl-1H-pyrrole

There total 79 articles about 2,5-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: 95.0%

1,4-diphenyl-but-2-yne-1,4-dione (1087-09-8) → 2,5-diphenyl-1H-pyrrole (838-40-4)

Guidance literature:

With PEG-200; ammonium formate; palladium on activated charcoal; for 0.00833333h; microwave irradiation;

DOI:10.1016/j.tet.2003.11.087

Reference yield: 92.7%

butanedinitrile (110-61-2) + potassium phenyltrifluoroborate → 2,5-diphenyl-1H-pyrrole (838-40-4)

Guidance literature:

With [2,2]bipyridinyl; ammonium trifluoroacetate; palladium(II) trifluoroacetate; trifluoroacetic acid; In tetrahydrofuran; water; at 70 ℃; for 40h; Solvent; Reagent/catalyst; Inert atmosphere;

Reference yield: 92.0%

1,4-diphenylbut-2-ene-1,4-dione (959-28-4) → 2,5-diphenyl-1H-pyrrole (838-40-4)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In various solvent(s); for 0.00833333h; microwave irradiation;

DOI:10.1016/S0040-4039(01)01334-X

upstream raw materials:

2,5-diphenyl-1H-pyrrole-3-carbonitrile

ammonium acetate

phenacylacetophenone

acetophenonazine

Downstream raw materials:

3-nitro-2,5-diphenyl-pyrrole

2,5-Diphenyl-3-formylpyrrole

(2,5-diphenyl-1H-pyrrol-3-yl)(phenyl)methanone

(2,5-diphenyl-pyrrol-3-ylmethyl)-dimethyl-amine