1-[(4-Bromophenyl)methylsulfonyl]pyrrolidine

Base Information

• Chemical Name: 1-[(4-Bromophenyl)methylsulfonyl]pyrrolidine
• CAS No.: 950255-92-2
• Molecular Formula: C₁₁H₁₄BrNO₂S
• Molecular Weight: 304.208
• DSSTox Substance ID: DTXSID80589924
• Wikidata: Q72511057
• Mol file: 950255-92-2.mol

Synonyms:950255-92-2;1-(4-bromobenzylsulfonyl)pyrrolidine;1-[(4-bromophenyl)methylsulfonyl]pyrrolidine;1-((4-Bromobenzyl)sulfonyl)pyrrolidine;1-[(4-Bromophenyl)methanesulfonyl]pyrrolidine;1-[(4-bromobenzyl)sulfonyl]pyrrolidine;1-[[(4-BROMOPHENYL)METHYL]SULFONYL]PYRROLIDINE;SCHEMBL2933466;DTXSID80589924;STL223682;AKOS000378683;DB-002347;CS-0335929;E86869;1-{[(4-Bromophenyl)methane]sulfonyl}pyrrolidine;A845154;A1-07818

Chemical Property of 1-[(4-Bromophenyl)methylsulfonyl]pyrrolidine

Chemical Property:

• Vapor Pressure: 2.41E-07mmHg at 25°C
• Boiling Point: 422.5°C at 760 mmHg
• Flash Point: 209.3°C
• PSA: 45.76000
• Density: 1.57g/cm³
• LogP: 3.39340
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 302.99286
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

1-((4-Bromobenzyl)sulfonyl)pyrrolidine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)Br

Technology Process of 1-[(4-Bromophenyl)methylsulfonyl]pyrrolidine

There total 3 articles about 1-[(4-Bromophenyl)methylsulfonyl]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-phenyl)-methanesulfonyl chloride (53531-69-4) → 1-((4-bromobenzyl)sulfonyl)pyrrolidine (950255-92-2)

Guidance literature:

pyrrolidine; With potassium carbonate; In dichloromethane; water; at -10 ℃; for 0.333333h; Inert atmosphere;

(4-bromo-phenyl)-methanesulfonyl chloride; In dichloromethane; water; at 15 - 25 ℃; for 1h; Inert atmosphere;

Reference yield:

1-bromomethyl-4-bromobenzene (589-15-1) → 1-((4-bromobenzyl)sulfonyl)pyrrolidine (950255-92-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium sulfite / ethanol; water / 3 h / Inert atmosphere; Reflux

2.1: thionyl chloride / N,N-dimethyl-formamide / 2 h / -10 - 25 °C / Inert atmosphere

3.1: potassium carbonate / dichloromethane; water / 0.33 h / -10 °C / Inert atmosphere

3.2: 1 h / 15 - 25 °C / Inert atmosphere

With thionyl chloride; potassium carbonate; sodium sulfite; In ethanol; dichloromethane; water; N,N-dimethyl-formamide;

Reference yield:

(4-bromophenyl)methanesulfonic acid sodium salt → 1-((4-bromobenzyl)sulfonyl)pyrrolidine (950255-92-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / N,N-dimethyl-formamide / 2 h / -10 - 20 °C / Inert atmosphere

2.1: potassium carbonate / dichloromethane; water / 0.33 h / -10 °C / Inert atmosphere

2.2: 1 h / 20 °C

With thionyl chloride; potassium carbonate; In dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

1-bromomethyl-4-bromobenzene

pyrrolidine

(4-bromo-phenyl)-methanesulfonyl chloride