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

Base Information

• Chemical Name: 1-(4-Chloro-2-nitrophenyl)pyrrolidine
• CAS No.: 41173-36-8
• Molecular Formula: C10H11ClN2O2
• Molecular Weight: 226.6595
• Hs Code.: 2933998090
• European Community (EC) Number: 803-941-2
• NSC Number: 142165
• DSSTox Substance ID: DTXSID50301276
• Nikkaji Number: J355.742A
• Wikidata: Q82044996
• ChEMBL ID: CHEMBL1570425
• Mol file: 41173-36-8.mol

Synonyms:1-(4-Chloro-2-nitrophenyl)pyrrolidine;41173-36-8;1-(4-chloro-2-nitro-phenyl)pyrrolidine;MLS000693125;SMR000284754;N-[4-Chloro-2-nitrophenyl]pyrrolidine;NSC142165;Oprea1_437682;cid_285321;CHEMBL1570425;SCHEMBL23486528;BDBM69222;QATZMIJXHKOELL-UHFFFAOYSA-;DTXSID50301276;QATZMIJXHKOELL-UHFFFAOYSA-N;HMS2595C04;HMS3380M15;MFCD00545946;STK014733;AKOS000423697;NSC-142165;1-(4-Chloro-2-nitrophenyl)pyrrolidine #;1-(4-chloranyl-2-nitro-phenyl)pyrrolidine;CS-0320111;InChI=1/C10H11ClN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2

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

Chemical Property:

• Vapor Pressure: 2.72E-05mmHg at 25°C
• Boiling Point: 357.5°Cat760mmHg
• Flash Point: 170°C
• PSA: 49.06000
• Density: 1.351g/cm³
• LogP: 3.43660
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 226.0509053
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

1-(4-CHLORO-2-NITROPHENYL)PYRROLIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 5 articles about 1-(4-Chloro-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: 97.0%

pyrrolidine (123-75-1) + 2,5-dichloronitrobenzene (89-61-2) → 5-chloro-2-(1-pyrrolidinyl)nitrobenzene (41173-36-8)

Guidance literature:

In tetrahydrofuran; at 50 ℃; for 20h; under 4500360 Torr;

DOI:10.1246/bcsj.64.42

Reference yield: 50.4%

1-Methylpyrrolidine (120-94-5) + 2,5-dichloronitrobenzene (89-61-2) → 1-methyl-1-<4-(N-methyl-4-chloro-2-nitroanilino)butyl>pyrrolidinium chloride + 5-chloro-2-(1-pyrrolidinyl)nitrobenzene (41173-36-8)

Guidance literature:

In tetrahydrofuran; at 80 ℃; for 20h; under 5625450 Torr;

DOI:10.1246/bcsj.68.2717

Reference yield: 24.0%

1-(4-chlorophenyl)pyrrolidine (4280-30-2) → 5-chloro-2-(1-pyrrolidinyl)nitrobenzene (41173-36-8)

Guidance literature:

With cis-nitrous acid; at 85 - 90 ℃; for 0.133333h;

DOI:10.1021/jo00164a023

upstream raw materials:

pyrrolidine

2,5-dichloronitrobenzene

1-(4-chlorophenyl)pyrrolidine

1-Methylpyrrolidine

Downstream raw materials:

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