54530-04-0

Basic information

• Product Name: (CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE
• Synonyms: 2,5-DIMETHYL-1-P-TOLYL-PYRROLIDINE;(CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE;(CIS/TRANS)-2,5-DIMETHYL-1-N-(4''-METHYL)-;Pyrrolidine, 2,5-dimethyl-1-(4-methylphenyl)-
• CAS NO: 54530-04-0
• Molecular Formula: C₁₃H₁₉N
• Molecular Weight: 189.3
• Mol File: 54530-04-0.mol

Chemical Properties

• Boiling Point: 291.3 °C at 760 mmHg
• Flash Point: 118.7 °C
• Appearance: /
• Density: 0.945 g/cm³
• Vapor Pressure: 0.00196mmHg at 25°C
• Refractive Index: 1.518
• PKA: 7.55±0.40(Predicted)
• CAS DataBase Reference: (CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: (CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE(54530-04-0)
• EPA Substance Registry System: (CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE(54530-04-0)

Safety Data

• Hazardous Substances Data: 54530-04-0(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
(CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE is used as a building block in organic synthesis for the creation of complex organic molecules. Its unique structure allows for versatile chemical reactions and modifications, making it a valuable component in the synthesis of various compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE is used as a key intermediate in the development of new drugs. Its specific properties and reactivity can be leveraged to design and synthesize pharmaceutical compounds with desired therapeutic effects.
The specific applications and properties of (CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE may vary depending on the isomeric form (cis or trans) and the context in which it is used, highlighting its potential for diverse uses across different fields.

InChI:InChI=1/C13H19N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h4-5,8-9,11-12H,6-7H2,1-3H3

Upstream product

• 592-42-7 1,5-Hexadien 
• 106-49-0 p-toluidine 
• 592-45-0 1,4-hexadiene 
• 99-99-0 1-methyl-4-nitrobenzene 
• 1333-74-0 hydrogen 
• 110-13-4 2,5-hexanedione 

Downstream Products

• 369380-21-2 (+/-)-2,5-dimethyl-1-N(2'-dichlorophosphino-4'-methylphenyl)pyrrolidine 

Relevant articles and documents

Cyclodextrin-based PNN supramolecular assemblies: a new class of pincer-type ligands for aqueous organometallic catalysis

Water-soluble cyclodextrins (CDs) bearing two nitrogen atoms as metal coordinating sites have been synthesized. An appropriate phosphane could be included within their cavity through the primary face to form self-assembled PNN supramolecular edifices. Once the PNN ligands were coordinated to platinum, the resulting complexes proved to be very effective as catalysts in a domino reaction, where a Pt-catalyzed reduction of nitrobenzene was followed by a Paal-Knorr pyrrole reaction. In the nitrobenzene reduction, the modified CDs acted both as first- and second-sphere ligands. Contrary to an acyclic glucopyranose-based NN ligand unable to interact with a phosphane ligand, the CD-based PNN ligands stabilized the catalytic species in water by supramolecular means. Interestingly, the product and the water-soluble Pt-catalyst could be recovered in two different phases once the reaction was complete.

One-Pot Synthesis of Substituted Pyrrolidines via Aminomercuration-Demercuration of 1,4- and 1,5-Hexadiene

The aminomercuratione-demercuration of 1,4- and 1,5-hexadiene yield cis- and trans-2,5-dimethyl-N-arylpyrrolidines via one-pot process.The intermolecular cyclization reaction goes through the corresponding mercurated pyrrolidines; these intermediates were isolated and characterized when the mercuration reaction was completed.The high stereoselectivity observed allows an easy way of synthesis for N-substituted trans-2,5-dimethylpyrrolidines.