1-(4-Fluorophenyl)pyrrole

Base Information

• Chemical Name: 1-(4-Fluorophenyl)pyrrole
• CAS No.: 81329-31-9
• Molecular Formula: C10H8 F N
• Molecular Weight: 161.179
• Hs Code.: 2933990090
• European Community (EC) Number: 670-574-0
• DSSTox Substance ID: DTXSID90352489
• Nikkaji Number: J960.031K
• Wikidata: Q82129660
• Mol file: 81329-31-9.mol

Synonyms:N-(4-fluorophenyl)pyrrole

Chemical Property of 1-(4-Fluorophenyl)pyrrole

Chemical Property:

• Melting Point: 52-52oC
• PSA: 4.93000
• LogP: 2.61640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.064077422
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Fluorophenyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Fluorophenyl)pyrrole

There total 8 articles about 1-(4-Fluorophenyl)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%

pyrrole (109-97-7,30604-81-0) + 1-Bromo-4-fluorobenzene (460-00-4) → 1-(4-fluorophenyl)-1H-pyrrole (81329-31-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 5h;

DOI:10.1039/c4ra06486k

Reference yield: 91.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 4-fluoroaniline (371-40-4) → 1-(4-fluorophenyl)-1H-pyrrole (81329-31-9)

Guidance literature:

at 110 - 120 ℃; for 4.5h; Neat (no solvent);

DOI:10.1080/00397911.2011.560744

Reference yield: 88.2%

pyrrole (109-97-7,30604-81-0) + 4-fluoro-1-iodobenzene (352-34-1) → 1-(4-fluorophenyl)-1H-pyrrole (81329-31-9)

Guidance literature:

With copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 72h; Inert atmosphere;

DOI:10.1021/jacs.5b10119

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

4-fluoroaniline

pyrrole

4-fluoro-1-iodobenzene

Downstream raw materials:

1-phenylpyrrole

1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrrole

4-(1H-pyrrol-1-yl)phenol

ethyl N-(3-cyano-4-neopentyloxyphenyl)-N-[1-(4-fluorophenyl)pyrrole-3-carbonyl]glycine

Refernces

• 1、 Wani, Rucha R.,Chaudhari, Hemchandra K.,Takale, Balaram S.. "Solvent Free Synthesis of N-Substituted Pyrroles Catalyzed by Calcium Nitrate". supporting information. p. 1337 - 1340. Retrieved 2019/02/05.
• 2、 -. "PYRROLE DERIVATIVES". Page/Page column 26; 27. . Retrieved 2017/11/04.