1-((4-Bromophenyl)sulfonyl)piperidine

Base Information

• Chemical Name: 1-((4-Bromophenyl)sulfonyl)piperidine
• CAS No.: 834-66-2
• Molecular Formula: C11H14BrNO2S
• Molecular Weight: 304.208
• Hs Code.: 2935009090
• NSC Number: 14845
• DSSTox Substance ID: DTXSID50232319
• Nikkaji Number: J1.425.766G
• Wikidata: Q83113340
• Mol file: 834-66-2.mol

Synonyms:834-66-2;1-((4-Bromophenyl)sulfonyl)piperidine;1-(4-BROMOPHENYLSULFONYL)PIPERIDINE;1-(4-bromophenyl)sulfonylpiperidine;1-[(4-Bromophenyl)sulfonyl]piperidine;Piperidine, 1-((p-bromophenyl)sulfonyl)-;1-((p-Bromophenyl)sulfonyl)piperidine;BRN 0213266;2-20-00-00054 (Beilstein Handbook Reference);1-(4-bromobenzenesulfonyl)piperidine;NSC14845;Oprea1_516299;Oprea1_679421;SCHEMBL709027;JHICC02074;DTXSID50232319;Piperidino(4-bromophenyl) sulfone;C11-H14-Br-N-O2-S;1-(p-Bromobenzenesulfonyl)piperidine;MFCD00194753;NSC 14845;NSC-14845;STL168294;1-(4-bromobenzenesulfonyl)-piperidine;AKOS000383506;AB04666;AS-2817;1-[(4-Bromophenyl)sulfonyl]piperidine #;LS-114347;CS-0155256;FT-0760204;D83337;A840579;Z45498041

Chemical Property of 1-((4-Bromophenyl)sulfonyl)piperidine

Chemical Property:

• Vapor Pressure: 1.65E-06mmHg at 25°C
• Melting Point: 91-93
• Refractive Index: 1.594
• Boiling Point: 396.9 °C at 760 mmHg
• PKA: -5.11±0.20(Predicted)
• Flash Point: 193.8 °C
• PSA: 45.76000
• Density: 1.513 g/cm³
• LogP: 3.64240
• Storage Temp.: Keep Cold
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 302.99286
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

99.3% ^*data from raw suppliers

1-(4-Bromophenylsulfonyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

Technology Process of 1-((4-Bromophenyl)sulfonyl)piperidine

There total 8 articles about 1-((4-Bromophenyl)sulfonyl)piperidine 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: 100.0%

piperidine (110-89-4) + 4-bromobenzenesulfonyl chloride (98-58-8) → 1-((4-bromophenyl)sulfonyl)piperidine (834-66-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.ejmech.2013.01.047

Reference yield: 99.3%

→ 1-((4-bromophenyl)sulfonyl)piperidine (834-66-2)

Guidance literature:

Reference yield: 99.0%

piperidine (110-89-4) + p-bromophenylsulfonyl hydrazide (2297-64-5) → 1-((4-bromophenyl)sulfonyl)piperidine (834-66-2)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In water; at 20 ℃; for 0.0166667h;

DOI:10.1016/j.tetlet.2016.02.009

upstream raw materials:

piperidine hydrochloride

4-bromobenzenesulfonyl chloride

piperidine

C₁₂H₆BrCl₃O₃S

Downstream raw materials:

1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one

Refernces

• 1、 Parumala, Santosh Kumar Reddy,Peddinti, Rama Krishna. "Metal-free synthesis of sulfonamides via iodine-catalyzed oxidative coupling of sulfonyl hydrazides and amines". supporting information. p. 1232 - 1235. Retrieved 2016/03/01.
• 2、 -. "SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C". Page/Page column 206. . Retrieved 2014/09/29.