2-(4-Methylbenzyl)pyrrolidine

Base Information

• Chemical Name: 2-(4-Methylbenzyl)pyrrolidine
• CAS No.: 383127-62-6
• Molecular Formula: C₁₂H₁₇N
• Molecular Weight: 175.274
• Hs Code.: 2933998090
• European Community (EC) Number: 834-852-7
• DSSTox Substance ID: DTXSID801285819
• Mol file: 383127-62-6.mol

Synonyms:2-(4-methylbenzyl)pyrrolidine;2-[(4-methylphenyl)methyl]pyrrolidine;383127-62-6;SCHEMBL19654759;2-(4-Methyl-benzyl)-pyrrolidine;DTXSID801285819;BBL020488;MFCD02663496;STK893184;AKOS001475997;VS-07102;BB 0249526;CS-0261018;EN300-76684;Z382710498

Chemical Property of 2-(4-Methylbenzyl)pyrrolidine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC2CCCN2

Technology Process of 2-(4-Methylbenzyl)pyrrolidine

There total 14 articles about 2-(4-Methylbenzyl)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: 80.0%

(5S)-5-(4-methylbenzyl)pyrrolidin-2-one (606143-40-2) → (2S)-2-(4-methylbenzyl)pyrrolidine (383127-62-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; Heating;

DOI:10.1016/S0957-4166(03)00589-5

Reference yield:

2-[1-p-Tolyl-meth-(E)-ylidene]-pyrrolidine → 2-(4-methylbenzyl)pyrrolidine (383127-62-6)

Guidance literature:

With piperidine; methanol; phenylsilane; (tert-butyl-N-SiMe₂-cyclopentadienyl)Ti(NMe₂)2; In toluene; at 105 ℃; for 22h;

DOI:10.1002/anie.200462250

Reference yield:

2-[1-p-Tolyl-meth-(E)-ylidene]-pyrrolidine → (R)-2-(4-Methyl-benzyl)-pyrrolidine (383127-62-6) + (2S)-2-(4-methylbenzyl)pyrrolidine (383127-62-6)

Guidance literature:

With piperidine; methanol; phenylsilane; dimethyltitanocene; dimethyl (S,S)-ethylene-1,2-bis(η⁵-4,5,6,7-tetrahydro-1-indenyl)titanium; In toluene; at 105 ℃; for 36h;

DOI:10.1002/anie.200462250

upstream raw materials:

(5S)-5-(4-methylbenzyl)pyrrolidin-2-one

p-toluidine

5-(4-methylphenyl)pent-4-ynylamine

(2'S,5S)-2'-(methoxymethyl)-5-(4-methylbenzyl)[1,1']bipyrrolidinyl-2-one