1-(4,5-Dichloro-2-nitrophenyl)pyrrolidine

Base Information

• Chemical Name: 1-(4,5-Dichloro-2-nitrophenyl)pyrrolidine
• CAS No.: 59504-31-3
• Molecular Formula: C10H10 Cl2 N2 O2
• Molecular Weight: 261.1046
• NSC Number: 157406
• DSSTox Substance ID: DTXSID00303220
• Wikidata: Q82048386

Synonyms:1-(4,5-dichloro-2-nitrophenyl)pyrrolidine;59504-31-3;NSC 157406;NSC157406;DTXSID00303220;NSC-157406

Chemical Property of 1-(4,5-Dichloro-2-nitrophenyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 1.23E-06mmHg at 25°C
• Boiling Point: 400.8°Cat760mmHg
• Flash Point: 196.2°C
• Density: 1.452g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 260.0119330
• Heavy Atom Count: 16
• Complexity: 266

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=CC(=C(C=C2[N+](=O)[O-])Cl)Cl

Technology Process of 1-(4,5-Dichloro-2-nitrophenyl)pyrrolidine

There total 3 articles about 1-(4,5-Dichloro-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: 73.6%

1-Methylpyrrolidine (120-94-5) + 2,4,5-Trichloronitrobenzene (89-69-0) → 4,5-dichloro-2-(1-pyrrolidinyl)nitrobenzene (59504-31-3) + 2,5-dichloro-4-(1-pyrrolidinyl)nitrobenzene + N-(4-chlorobutyl)-N-methyl-2,5-dichloro-4-nitroaniline + 1-methyl-1-<4-(N-methyl-2,5-dichloro-4-nitroanilino)butyl>pyrrolidinium chloride

Guidance literature:

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

DOI:10.1246/bcsj.68.2717

Reference yield: 13.1%

1-Methylpyrrolidine (120-94-5) + 2,4,5-Trichloronitrobenzene (89-69-0) → 4,5-dichloro-2-(1-pyrrolidinyl)nitrobenzene (59504-31-3) + 2,5-dichloro-4-(1-pyrrolidinyl)nitrobenzene + 1-methyl-1-<4-(N-methyl-2,5-dichloro-4-nitroanilino)butyl>pyrrolidinium chloride + C26H46ClN5O2(2+)*2Cl(1-)

Guidance literature:

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

DOI:10.1246/bcsj.68.2717

Reference yield:

pyrrolidine (123-75-1) + 2,4,5-Trichloronitrobenzene (89-69-0) → 4,5-dichloro-2-(1-pyrrolidinyl)nitrobenzene (59504-31-3)

Guidance literature:

In acetonitrile; for 3h; Heating;

DOI:10.1016/j.bmcl.2006.01.028

upstream raw materials:

1-Methylpyrrolidine

2,4,5-Trichloronitrobenzene

pyrrolidine

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