2-(4-Methylphenyl)pyrrolidine

Base Information

• Chemical Name: 2-(4-Methylphenyl)pyrrolidine
• CAS No.: 62506-76-7
• Molecular Formula: C11H15N
• Molecular Weight: 161.247
• Hs Code.: 2933990090
• European Community (EC) Number: 817-117-5
• DSSTox Substance ID: DTXSID50393671,DTXSID50902626
• Nikkaji Number: J3.626.871I
• Mol file: 62506-76-7.mol

Synonyms:2-(4-methylphenyl)pyrrolidine;62506-76-7;2-(p-tolyl)pyrrolidine;2-p-tolylpyrrolidine;Pyrrolidine,2-(4-methylphenyl)-;2-p-Tolyl-pyrrolidine;NoName_3165;Oprea1_746332;(RS)-2-p-tolyl-pyrrolidine;SCHEMBL165154;2-(4-methylphenyl)-pyrrolidine;DTXSID50393671;DTXSID50902626;TXFISDWSKUHPET-UHFFFAOYSA-N;BBL020486;MFCD02663452;STK501127;AKOS000156030;AKOS016341067;3-PHENYLISOXAZOLE-5-BORONICACID;CS-W019394;FS-1995;SB46182;SB46954;AM20050526;BB 0219908;FT-0649891;EN300-29849;J3.626.871I;A26413;J-506065;Z281773826

Chemical Property of 2-(4-Methylphenyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 0.0129mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 259.6 °C at 760 mmHg
• PKA: 10.13±0.10(Predicted)
• Flash Point: 112.7 °C
• PSA: 12.03000
• Density: 0.975 g/cm³
• LogP: 2.74830
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methylphenyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CCCN2

Technology Process of 2-(4-Methylphenyl)pyrrolidine

There total 8 articles about 2-(4-Methylphenyl)pyrrolidine 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:

5-(p-tolyl)-3,4-dihydro-2H-pyrrole (22217-77-2) → 2-(4-methylphenyl)pyrrolidine (62506-76-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; water; at 20 ℃;

DOI:10.1016/j.tet.2018.05.076

Reference yield:

→ 2-(4-methylphenyl)pyrrolidine (62506-76-7)

Guidance literature:

With hydrogenchloride; platinum; Hydrogenation;

DOI:10.1021/ja01349a023

Reference yield:

para-methylphenylmagnesium bromide (4294-57-9) → 2-(4-methylphenyl)pyrrolidine (62506-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; chloro-trimethyl-silane / diethyl ether / Schlenk technique; Reflux

1.2: 3 h / Inert atmosphere; Reflux

2.1: sodium tetrahydroborate / methanol; water / 20 °C

With sodium tetrahydroborate; chloro-trimethyl-silane; triethylamine; In methanol; diethyl ether; water;

DOI:10.1016/j.tet.2018.05.076

upstream raw materials:

4-oxo-4-(4-methylphenyl)butanenitrile

para-methylphenylmagnesium bromide

5-(p-tolyl)-3,4-dihydro-2H-pyrrole

4-(4-methylphenyl)butan-1-ol