1-(4-Methyl-2-nitrophenyl)pyrrolidine

Base Information

• Chemical Name: 1-(4-Methyl-2-nitrophenyl)pyrrolidine
• CAS No.: 59504-34-6
• Molecular Formula: C11H14 N2 O2
• Molecular Weight: 206.244
• European Community (EC) Number: 261-791-8
• DSSTox Substance ID: DTXSID0069333
• Nikkaji Number: J298.175K
• Wikidata: Q81996187
• Mol file: 59504-34-6.mol

Synonyms:1-(4-Methyl-2-nitrophenyl)pyrrolidine;59504-34-6;Pyrrolidine, 1-(4-methyl-2-nitrophenyl)-;EINECS 261-791-8;DTXSID0069333;1-(4-methyl-2-nitro-phenyl)pyrrolidine;A833071

Chemical Property of 1-(4-Methyl-2-nitrophenyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 2.34E-05mmHg at 25°C
• Boiling Point: 359.7°C at 760 mmHg
• Flash Point: 171.3°C
• PSA: 49.06000
• Density: 1.198g/cm³
• LogP: 3.09160
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Technology Process of 1-(4-Methyl-2-nitrophenyl)pyrrolidine

There total 3 articles about 1-(4-Methyl-2-nitrophenyl)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: 92.0%

pyrrolidine (123-75-1) + 4-Bromo-3-nitrotoluene (5326-34-1) → 4-(N-pyrrolidino)-5-nitrotoluene (59504-34-6)

Guidance literature:

for 3h; Heating;

DOI:10.1021/jm00027a010

Reference yield:

pyrrolidine (123-75-1) + 1-chloro-4-methyl-2-nitro-benzene (89-60-1) → 4-(N-pyrrolidino)-5-nitrotoluene (59504-34-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 80 ℃; for 4h;

DOI:10.1016/j.bioorg.2021.105244

Reference yield:

pyrrolidine (123-75-1) + 4-fluoro-3-nitrotoluene (446-11-7) → 4-(N-pyrrolidino)-5-nitrotoluene (59504-34-6)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 120 ℃;

DOI:10.1021/acs.joc.0c01806

upstream raw materials:

pyrrolidine

4-Bromo-3-nitrotoluene

4-fluoro-3-nitrotoluene

1-chloro-4-methyl-2-nitro-benzene

Downstream raw materials:

5-methyl-2-(pyrrolidin-1-yl)aniline