1-(2-fluoro-5-nitrophenyl)-1H-pyrrole

Base Information

• Chemical Name: 1-(2-fluoro-5-nitrophenyl)-1H-pyrrole
• CAS No.: 96623-75-5
• Molecular Formula: C10H7 F N2 O2
• Molecular Weight: 206.176
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID40381744
• Wikidata: Q82172775
• Mol file: 96623-75-5.mol

Synonyms:1-(2-fluoro-5-nitrophenyl)-1H-pyrrole;96623-75-5;1-(2-fluoro-5-nitrophenyl)pyrrole;SCHEMBL1744862;DTXSID40381744;QOIPFOMYLGXYDR-UHFFFAOYSA-N;MFCD02180646;AKOS008961678;SB62763;CS-0325581;A915638

Chemical Property of 1-(2-fluoro-5-nitrophenyl)-1H-pyrrole

Chemical Property:

• PSA: 50.75000
• LogP: 3.04780
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.04915563
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Fluoro-5-nitrophenyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-fluoro-5-nitrophenyl)-1H-pyrrole

There total 1 articles about 1-(2-fluoro-5-nitrophenyl)-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: 88.3%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 6-fluoro-3-nitroaniline (369-36-8) → 4-fluoro-3-(1H-pyrrol-1-yl)nitrobenzene (96623-75-5)

Guidance literature:

In acetic acid; at 130 ℃; for 0.5h;

Reference yield: 54.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-fluoro-3-(1H-pyrrol-1-yl)nitrobenzene (96623-75-5) → 1-(2-fluoro-5-nitrophenyl)-1H-pyrrole-2-carbaldehyde (1235998-93-2)

Guidance literature:

With trichlorophosphate; at 20 ℃; for 5h;

Reference yield: 32.0%

C12H16O3 (1452815-88-1) + 4-fluoro-3-(1H-pyrrol-1-yl)nitrobenzene (96623-75-5) → C22H22N2O5 (1452815-90-5)

Guidance literature:

With 15-crown-5; sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 17h; stereoselective reaction;

DOI:10.1016/j.tetlet.2013.07.115

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

6-fluoro-3-nitroaniline

Downstream raw materials:

Irloxacin

diethyl 4-fluoro-3-(1H-pyrrol-1-yl)anilinomethylenemalonate

1-(2-fluoro-5-nitrophenyl)-1H-pyrrole-2-carbaldehyde

C₂₂H₂₂N₂O₅