Methanone, (4-nitrophenyl)-1H-pyrrol-2-yl-

Base Information

Chemical Name:Methanone, (4-nitrophenyl)-1H-pyrrol-2-yl-
CAS No.:63833-47-6
Molecular Formula:C11H8N2O3
Molecular Weight:216.196
Hs Code.:
DSSTox Substance ID:DTXSID50401407
Nikkaji Number:J3.478.161C
Wikidata:Q82204502

Synonyms:63833-47-6;Methanone, (4-nitrophenyl)-1H-pyrrol-2-yl-;(4-nitrophenyl)(1H-pyrrol-2-yl)methanone;2-(4-nitrobenzoyl) pyrrole;(4-nitrophenyl)-(1H-pyrrol-2-yl)methanone;SCHEMBL6326821;DTXSID50401407;OLBZXLMVXOLTRU-UHFFFAOYSA-N;MFCD05148438;AS-76192;(4-nitro-phenyl)-(1H-pyrrol-2-yl)-methanone;D85631

Suppliers and Price of Methanone, (4-nitrophenyl)-1H-pyrrol-2-yl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Methanone, (4-nitrophenyl)-1H-pyrrol-2-yl-

Chemical Property:

Melting Point:160-161 °C(Solv: ethanol (64-17-5))
Boiling Point:409.1±25.0 °C(Predicted)
PSA：78.68000
Density:1.370±0.06 g/cm3(Predicted)
LogP:2.67710
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:216.05349212
Heavy Atom Count:16
Complexity:279

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CNC(=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Methanone, (4-nitrophenyl)-1H-pyrrol-2-yl-

There total 8 articles about Methanone, (4-nitrophenyl)-1H-pyrrol-2-yl- 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: 94.9%

: 619-73-8
4-nitrobenzyl chloride

: 38480-28-3
2-bromo-1H-pyrrole

: 63833-47-6
(4-nitrophenyl)(1H-pyrrole-2-yl)methanone

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; ammonium cerium (IV) nitrate; n-butyl(triphenyl)phosphonium bromide; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane; In N,N-dimethyl-formamide; at 75 ℃; for 4h; Reagent/catalyst; Solvent; Catalytic behavior; Inert atmosphere;

Reference yield: 90.0%

: 109-97-7,30604-81-0
pyrrole

: 14922-36-2
4-nitrophenylglyoxylic acid

: 63833-47-6
(4-nitrophenyl)(1H-pyrrole-2-yl)methanone

Guidance literature:: With dipotassium peroxodisulfate; In acetonitrile; at 80 ℃; for 6h; regioselective reaction; Sealed tube;
DOI:10.1021/acs.orglett.0c00041

Reference yield: 81.0%

: 109-97-7,30604-81-0
pyrrole

: 122-04-3
4-nitro-benzoyl chloride

: 63833-47-6
(4-nitrophenyl)(1H-pyrrole-2-yl)methanone

Guidance literature:: pyrrole; With methylmagnesium bromide; In tetrahydrofuran; diethyl ether; at -78 - 25 ℃; for 1h; Inert atmosphere;

4-nitro-benzoyl chloride; In tetrahydrofuran; diethyl ether; at 20 ℃; for 3h; Inert atmosphere;