Pyrrole

Base Information

• Chemical Name: Pyrrole
• CAS No.: 30604-81-0
• Deprecated CAS: 21995-14-2,45361-50-0,1201695-24-0,1201695-24-0,45361-50-0
• Molecular Formula: C4H5N
• Molecular Weight: 67.0892
• European Community (EC) Number: 203-724-7
• NSC Number: 72470,62777
• UNII: 86S1ZD6L2C
• DSSTox Substance ID: DTXSID5021910
• Nikkaji Number: J371I
• Wikipedia: Pyrrole
• Wikidata: Q242627
• Metabolomics Workbench ID: 47124
• ChEMBL ID: CHEMBL16225
• Mol file: 30604-81-0.mol

Synonyms:Pyrrole;Pyrroles

Chemical Property of Pyrrole

Chemical Property:

• Melting Point: >300oC
• Boiling Point: 129.8°Cat760mmHg
• Flash Point: 33.3°C
• PSA: 15.79000
• Density: 0.99g/cm³
• LogP: 1.01470
• Storage Temp.: Room Temperature
• Solubility.: H2O: insoluble
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 67.042199164
• Heavy Atom Count: 5
• Complexity: 22.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

Polypyrrole(undoped,extentoflabeling:~20wt.%loading,compositewithcarbonblack) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 37-40
• Safety Statements: 22-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrroles
• Canonical SMILES: C1=CNC=C1
• Recent ClinicalTrials: Azole-echinocandin Combination Therapy for Invasive Aspergillosis
• Uses: Polypyrrole is a reactant used to synthesize an eco-friendly cellulose-derived carbon aerogels. PPy can be used for a variety of applications such as: electrode materials for sensors used in electrocardiography (ECG) formation of electrode material for a variety of energy storage applications encapsulation of lithium sulfide (Li2S) as a high performance cathode material PPy is mainly used in the fabrication of a variety of electrochemical devices which include supercapacitors, chemical sensors, dye sensitized solar cells and lithium-ion batteries.

Technology Process of Pyrrole

There total 209 articles about 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: 100.0%

2,2-dimethyl-1-pyrrol-1-yl-propan-1-ol → pyrrole (109-97-7,30604-81-0) + pivalaldehyde (630-19-3)

Guidance literature:

With sodium methylate; In tetrahydrofuran; at 20 ℃; for 12h; Further Variations:; Reagents; reaction time; Product distribution;

DOI:10.1055/s-2003-42470

Reference yield: 89.0%

N-(1-hydroxy-1-benzyl)pyrrole (86734-19-2) → pyrrole (109-97-7,30604-81-0) + benzaldehyde (100-52-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 12h; Further Variations:; Reagents; Product distribution;

DOI:10.1055/s-2003-42470

Reference yield: 77.0%

(4-nitro-phenyl)-pyrrol-1-yl-methanol → pyrrole (109-97-7,30604-81-0) + 4-nitrobenzaldehdye (555-16-8)

Guidance literature:

With sodium methylate; In tetrahydrofuran; at 20 ℃; for 12h; Further Variations:; Reagents; Product distribution;

DOI:10.1055/s-2003-42470

upstream raw materials:

pyrrolidine

piperidine

furan

furfural

Downstream raw materials:

2,3,4,5-tetrahydro-1H,1'H-[2,2']bipyrrolyl; picrate

2-[2-(pyrrol-1-yl)ethyl]pyridine

2-(Methylaminomethyl)-pyrrol

2-(N,N-dimethylaminomethyl)pyrrole

Refernces

• 1、 Gupta, Pankaj,Laha, Joydev K.. "Sulfoxylate Anion Radical-Induced Aryl Radical Generation and Intramolecular Arylation for the Synthesis of Biarylsultams". supporting information. . Retrieved 2022/03/16.
• 2、 Borthwick, Scott,Foot, Jonathan,Ieva, Maria,McNab, Hamish,McNab, Lilian,Rozgowska, Emma J.,Wright, Andrew. "Rearrangement and cyclisation reactions on the 1-Arylpyrrol-2-iminyl-2-Aryliminopyrrol-1-yl radical energy surface". supporting information. p. 161 - 175. Retrieved 2021/02/02.