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

Chemical Properties

clear yellow to light brown liquid

Uses

Different sources of media describe the Uses of 96-54-8 differently. You can refer to the following data:
1. Organic synthesis.
2. 1-Methylpyrrole, can be used as organic synthetic materials, widely used in medicine. It is also used as a pharmaceutical intermediate.

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 
• 69309-33-7 1,4-bis-(dimethylamino)-1,3-butadiene 
• 16199-06-7 potassium pyrrolide 
• 696-59-3 cis,trans-2,5-dimethoxytetrahydrofuran 
• 593-51-1 methylamine hydrochloride 
• 7223-38-3 N,N-Dimethylpropargylamin 
• 539-74-2 Ethyl 3-bromopropionate 
• 50-36-2 Cocaine 
• 109-97-7 pyrrole 
• 616-38-6 carbonic acid dimethyl ester 
• 558-37-2 tert-butylethylene 
• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 

Downstream Products

• 143213-57-4 2-chloro-1-(1-methyl-1H-pyrrol-3-yl)-2-phenylethan-1-one 
• 143213-56-3 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)-2-phenylethan-1-one 
• 93971-16-5 2-(2,4-Dinitro-benzenesulfonyl)-1-(1-methyl-1H-pyrrol-2-yl)-1,2-dihydro-isoquinoline 
• 93971-26-7 C₃₅H₂₅N₇O₁₂S₂ 
• 93971-12-1 2-Benzenesulfonyl-1-(1-methylpyrrol-2-yl)-1,2-dihydroisoquinoline 
• 93971-21-2 2,5-di(2-benzenesulfonyl-1,2-dihydroisoquinolin-1-yl)-1-methylpyrrole 
• 93971-14-3 1-(1-Methyl-1H-pyrrol-2-yl)-2-(toluene-4-sulfonyl)-1,2-dihydro-isoquinoline 
• 93971-23-4 C₃₇H₃₃N₃O₄S₂ 
• 93971-15-4 2-(4-Bromo-benzenesulfonyl)-1-(1-methyl-1H-pyrrol-2-yl)-1,2-dihydro-isoquinoline 
• 93971-25-6 C₃₅H₂₇Br₂N₃O₄S₂ 
• 93971-22-3 C₃₅H₂₇N₅O₈S₂ 
• 93971-13-2 1-(1-Methyl-1H-pyrrol-2-yl)-2-(4-nitro-benzenesulfonyl)-1,2-dihydro-isoquinoline 
• 111678-48-9 1-Methyl-2-((E)-3-phenyl-allyl)-1H-pyrrole 
• 75421-91-9 1-methyl-3-(p-tolylsulfinyl)-1H-pyrrole 

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.