1-((4-Bromophenyl)sulfonyl)piperazine

Base Information

• Chemical Name: 1-((4-Bromophenyl)sulfonyl)piperazine
• CAS No.: 179334-20-4
• Molecular Formula: C10H13 Br N2 O2 S
• Molecular Weight: 305.195
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID70351899
• Wikidata: Q82128722
• Mol file: 179334-20-4.mol

Synonyms:179334-20-4;1-((4-Bromophenyl)sulfonyl)piperazine;1-(4-Bromophenylsulfonyl)piperazine;1-(4-bromophenyl)sulfonylpiperazine;4-(4-Bromobenzenesulfonyl)piperazine;1-(4-bromobenzenesulfonyl)piperazine;1-(4-BROMO-BENZENESULFONYL)-PIPERAZINE;1-[(4-bromophenyl)sulfonyl]piperazine;TimTec1_006050;Oprea1_037751;SCHEMBL3824011;DTXSID70351899;HMS1551C22;(4-Bromobenzenesulphonyl)piperazine;1-(4-bromophenylsulphonyl)piperazine;MFCD00474647;STK663505;1-(4-bromophenylsulphonyl)-piperazine;AKOS000204941;1-(4-Bromobenzene-1-sulfonyl)piperazine;Piperazine, 1-(4-bromobenzenesulfonyl)-;BS-21859;CS-0206691;EN300-34077;A812443;AF-399/40918329;SR-01000091688;SR-01000091688-1;Z56893164;F1174-3120

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

Chemical Property:

• Boiling Point: 417.3±55.0 °C(Predicted)
• PKA: 7.74±0.10(Predicted)
• PSA: 57.79000
• Density: 1.549±0.06 g/cm3(Predicted)
• LogP: 2.39050
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 303.98811
• Heavy Atom Count: 16
• Complexity: 314

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)Br

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

There total 3 articles about 1-((4-Bromophenyl)sulfonyl)piperazine 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: 88.0%

4-(4-bromobenzenesulfonyl)piperazine-1-carboxylic acid tert-butyl ester (259808-63-4) → 1-(4-bromophenylsulphonyl)piperazine (179334-20-4)

Guidance literature:

4-(4-bromobenzenesulfonyl)piperazine-1-carboxylic acid tert-butyl ester; With trifluoroacetic acid; In dichloromethane; at 20 ℃;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield: 68.5%

→ 1-(4-bromophenylsulphonyl)piperazine (179334-20-4)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

4-bromobenzenesulfonyl chloride (98-58-8) → 1-(4-bromophenylsulphonyl)piperazine (179334-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 48 h / 20 °C

2: hydrogenchloride; acetic acid / water / 2 h / 20 °C

With hydrogenchloride; acetic acid; triethylamine; In dichloromethane; water;

DOI:10.1021/jm2000773

upstream raw materials:

4-(4-bromobenzenesulfonyl)piperazine-1-carboxylic acid tert-butyl ester

4-bromobenzenesulfonyl chloride

Downstream raw materials:

C₁₀H₁₅BN₂O₄S

1-(4-bromophenylsulphonyl)-4-(4-nitrophenyloxycarbonyl)piperazine

1-(4-pyrimidyl)-4-(4-bromophensulphonyl)piperazine

1-[4-(4-bromo-benzenesulfonyl)-piperazin-1-yl]-ethanone