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

Base Information

• Chemical Name: 1-(4-Bromo-2-nitrophenyl)pyrrolidine
• CAS No.: 59504-32-4
• Molecular Formula: C₁₀H₁₁BrN₂O₂
• Molecular Weight: 271.114
• European Community (EC) Number: 654-042-5
• NSC Number: 157404
• DSSTox Substance ID: DTXSID90303219
• Wikidata: Q82048385

Synonyms:1-(4-bromo-2-nitrophenyl)pyrrolidine;59504-32-4;5-bromo-2-(pyrrolidin-1-yl)nitrobenzene;Pyrrolidine, 1-(4-bromo-2-nitrophenyl)-;NSC157404;SCHEMBL12582152;DTXSID90303219;AKOS008958383;NSC-157404;CS-0454008;1-(4-BROMO-2-NITROPHENYL)-PYRROLIDINE;A1-16990

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

Chemical Property:

• Vapor Pressure: 8.26E-06mmHg at 25°C
• Boiling Point: 374.6°Cat760mmHg
• Flash Point: 180.3°C
• Density: 1.576g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 270.00039
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

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

There total 2 articles about 1-(4-Bromo-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:

pyrrolidine (123-75-1) + 4-bromo-1-chloro-2-nitrobenzene (16588-24-2) → 1-(4-Bromo-2-nitro-phenyl)-pyrrolidine (59504-32-4)

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-Bromo-1-fluoro-2-nitrobenzene (364-73-8) → 1-(4-Bromo-2-nitro-phenyl)-pyrrolidine (59504-32-4)

Guidance literature:

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

DOI:10.1021/acs.joc.0c01806

upstream raw materials:

pyrrolidine

4-Bromo-1-fluoro-2-nitrobenzene

4-bromo-1-chloro-2-nitrobenzene

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