96-54-8

Basic information

• Product Name: N-Methyl pyrrole
• Synonyms: N-Methylpyrrol;Pyrrole, 1-methyl-;pyrrole,1-methyl-;1-methyl-1h-pyrrole;1-METHYLPYRROLE;1-METHYLPYRROLE 99+%;N-Methylpyrrole,99%;METHYLPYRROLE
• CAS NO: 96-54-8
• Molecular Formula: C₅H₇N
• Molecular Weight: 81.12
• EINECS: 202-513-7
• Product Categories: Functional Materials;Pyrroles (for Conduting Polymer Research);Reagents for Conducting Polymer Research;pyrrole;Building Blocks;Heterocyclic Building Blocks;Pyrroles;Imidazoles
• Mol File: 96-54-8.mol
• Article Data: 38

Chemical Properties

• Melting Point: −57 °C(lit.)
• Boiling Point: 112-113 °C(lit.)
• Flash Point: 59 °F
• Appearance: yellow-brown/liquid
• Density: 0.914 g/mL at 25 °C(lit.)
• Vapor Density: 2.8 (vs air)
• Vapor Pressure: 15 mm Hg ( 20.2 °C)
• Refractive Index: n20/D 1.489
• Storage Temp.: 2-8°C
• Solubility: 13g/l
• PKA: -2.80±0.70(Predicted)
• Explosive Limit: 1.4-8.5%(V)
• Water Solubility: Soluble in organic solvents such as alcohol and so on, but insoluble in water.
• BRN: 104181
• CAS DataBase Reference: N-Methyl pyrrole(CAS DataBase Reference)
• NIST Chemistry Reference: N-Methyl pyrrole(96-54-8)
• EPA Substance Registry System: N-Methyl pyrrole(96-54-8)

Safety Data

• Hazard Codes: F,Xi,Xn
• Statements: 11-36/37/38-37/38-22
• Safety Statements: 16-26-36-37-25-23
• RIDADR: UN 1993 3/PG 2
• WGK Germany: 3
• RTECS: UX9640000
• TSCA: Yes
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 96-54-8(Hazardous Substances Data)

Usage

Description

N-Methyl pyrrole, also known as 1-methylpyrrole, is an organic compound that serves as a valuable building block in organic synthesis. It is a heterocyclic compound with a five-membered nitrogen-containing ring structure, which contributes to its unique chemical properties and reactivity.

Uses

Used in Organic Synthesis:
N-Methyl pyrrole is used as an organic synthetic material for its versatile reactivity and ability to form a wide range of chemical compounds. Its presence in various molecular structures makes it a key component in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
N-Methyl pyrrole is used as a pharmaceutical intermediate for its potential role in the development of new drugs. Its unique chemical properties allow it to be incorporated into medicinal compounds, potentially leading to the creation of novel therapeutic agents with improved efficacy and selectivity.
Used in Medicine:
N-Methyl pyrrole is widely used in medicine due to its diverse applications in drug development and synthesis. Its presence in various pharmaceutical compounds contributes to the treatment and management of a range of medical conditions, highlighting its importance in the healthcare sector.

Hazard

Flammable, dangerous fire risk.

Purification Methods

Dry N-methylpyrrole with CaSO4, then fractionally distil it from KOH immediately before use. [Beilstein 20 III/IV 2080, 20/5 V 8.]

InChI:InChI=1/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3

Upstream product

• 120-94-5 1-Methylpyrrolidine 
• 110-00-9 furan 
• 74-89-5 methylamine 
• 109-97-7 pyrrole 
• 21898-43-1 2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetic acid 
• 69309-33-7 1,4-bis-(dimethylamino)-1,3-butadiene 
• 16199-06-7 potassium pyrrolide 
• 74-88-4 methyl iodide 
• 696-59-3 cis,trans-2,5-dimethoxytetrahydrofuran 
• 593-51-1 methylamine hydrochloride 
• 7223-38-3 N,N-Dimethylpropargylamin 
• 593-53-3 Methyl fluoride 
• 64710-12-9 dimethylfluoronium ion 
• 333-27-7 methyl trifluoromethanesulfonate 

Downstream Products

• 21898-59-9 1-methylpyrrole-2-acetic acid 
• 49669-45-6 ethyl (1-methyl-1H-pyrrol-2-yl)acetate 
• 26052-09-5 N-methyl(1-methyl-1H-pyrrol-2-yl)methylanamine 
• 56139-76-5 2-(N,N-dimethylaminomethyl)-1-methylpyrrole 
• 24460-50-2 1-(1-methyl-1H-pyrrol-2-yl)butan-2-one 
• 1192-58-1 N-methylpyrrole aldehyde 
• 69217-15-8 (E)-1-methyl-2-(phenyldiazenyl)-1H-pyrrole 
• 103503-90-8 1-methyl-2,5-bis-(3-oxo-3-phenyl-propyl)-pyrrole 
• 56453-98-6 N-methyl-2-((4'-nitrophenyl)diazenyl)-pyrrole 
• 766-95-0 2,5-diethyl-pyrrole 
• 145497-60-5 1-methyl-2-p-tolylazo-pyrrole 
• 932-16-1 N-methyl-2-acetylpyrrole 
• 37496-06-3 2-benzoyl-1-methyl-1H-pyrrole 
• 1444-11-7 1-Methyl-3a,7a-dihydro-indol-2,3,3a,4-tetracarbonsaeure-tetramethylester 

Relevant articles and documents

Structural reorganization of allyl isothiocyanate into pyrrole ring under superbase: A straightforward access to NH-2-(Alkylsulfanyl)-1H-pyrroles and N-Alkyl-2-(alkylsulfanyl)-1H-pyrroles

A novel and facile synthetic route to NH-2-(alkylsulfanyl)-1H-pyrroles and N-alkyl-2-(alkylsulfanyl)-1H-pyrroles is reported. This was achieved by deprotonation of allyl isothiocyanate with the superbasic pair lithium diisopropylamide and potassium tert-butoxide (1:1 molar mixture), followed by intramolecular ring closure, deprotonation of cyclic anion with a second equivalent of the superbase, and final sequential N-protolysis/S-alkylation or N,S-dialkylation of the formed N,S-centered pyrrol-2-ylsulfide dianion. Georg Thieme Verlag Stuttgart · New York.

Anti-inflammatory COX/LOX inhibitor, and preparation method and application thereof

The invention provides an anti-inflammatory COX/LOX inhibitor, and a preparation method and an application thereof. The inhibitor is a compound represented by formula I, or a pharmaceutically acceptable salt thereof. The novel anti-inflammatory COX/LOX inhibitor can significantly reduce the ear swelling degree of mice in an administrated group in xylene-induced ear swelling test, so the compound has an anti-inflammatory effect, and the anti-inflammatory effect of the compound is equivalent with that of aspirin; and additionally, pharmacological tests show that the compound has small irritationto the gastrointestinal tract. The preparation method of the novel anti-inflammatory COX/LOX inhibitor has the advantages of simplicity, easiness in operation, and effectiveness in the reduction of the production cost to realize industrial production.

Synthesis method of N-methylpyrrole

The invention discloses a synthesis method of N-methylpyrrole. The method comprises the step of enabling butanedial and methylamine to be subjected to a heating reaction under the alkaline condition so as to obtain the N-methylpyrrole. Compared with the prior art, the synthesis method provided by the invention has the characteristics of being short in reaction route, low in cost, relative mild inreaction condition, high in reaction yield, and the like; the method is simple to operate and convenient in aftertreatment, thus having industrial application prospect.