4-(4-BOC-piperazinosulfonyl)bromobenzene

Base Information

• Chemical Name: 4-(4-BOC-piperazinosulfonyl)bromobenzene
• CAS No.: 259808-63-4
• Molecular Formula: C15H21BrN2O4S
• Molecular Weight: 405.313
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20586578
• Wikidata: Q82478723
• Mol file: 259808-63-4.mol

Synonyms:259808-63-4;4-(4-BOC-piperazinosulfonyl)bromobenzene;tert-Butyl 4-((4-bromophenyl)sulfonyl)piperazine-1-carboxylate;tert-butyl 4-(4-bromophenyl)sulfonylpiperazine-1-carboxylate;tert-butyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate;tert-butyl 4-(4-bromophenylsulfonyl)piperazine-1-carboxylate;tert-Butyl 4-((4-bromophenyl)sulfonyl)-piperazine-1-carboxylate;MFCD09746327;1-Piperazinecarboxylic acid, 4-[(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester;4-(4-BROMO-BENZENESULFONYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-Butyl 4-[(4-bromophenyl)sulfonyl]piperazine-1-carboxylate;1-BOC-4-[(4-BROMOBENZENE)SULFONYL]PIPERAZINE;SCHEMBL710366;DTXSID20586578;AQKVPXFKSGCQHL-UHFFFAOYSA-N;tert-Butyl4-((4-bromophenyl)sulfonyl)piperazine-1-carboxylate;AKOS006691648;AM86813;AS-2784;MB07554;SY066215;CS-0450277;1-[(4-Bromophenyl)sulfonyl]-4-Boc-piperazine;EN300-316356;N10215;A877407;1-(4-Bromophenylsulfonyl)-4-(tert-butoxycarbonyl)piperazine;1-(4-bromobenzenesulfonyl)-4-(tert-butoxycarbonyl)piperazine;1-(tert-Butoxycarbonyl)-4-(4-bromo-benzenesulfonyl)-piperazine;tert-Butyl 4-(4-bromobenzene-1-sulfonyl)piperazine-1-carboxylate;1-Boc-4-[4-Bromobenzene)sulfonyl]piperazine;tert-Butyl 4-(4-bromophenylsulfonyl)piperazine-1-carboxylate

Chemical Property of 4-(4-BOC-piperazinosulfonyl)bromobenzene

Chemical Property:

• Boiling Point: 486.7±55.0 °C(Predicted)
• PKA: -0.99±0.70(Predicted)
• PSA: 75.30000
• Density: 1.451±0.06 g/cm3(Predicted)
• LogP: 3.64710
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 404.04054
• Heavy Atom Count: 23
• Complexity: 511

Purity/Quality:

97% ^*data from raw suppliers

4-(4-BOC-piperazinosulfonyl)bromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br

Technology Process of 4-(4-BOC-piperazinosulfonyl)bromobenzene

There total 1 articles about 4-(4-BOC-piperazinosulfonyl)bromobenzene 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%

4-bromobenzenesulfonyl chloride (98-58-8) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylic acid tert-butyl ester (259808-63-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jm500887k

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: 80.0%

4-(4-bromobenzenesulfonyl)piperazine-1-carboxylic acid tert-butyl ester (259808-63-4) + trimethylsilylacetylene (1066-54-2) → 4-(4-trimethylsilanylethynyl-benzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester (1227370-73-1)

Guidance literature:

4-(4-bromobenzenesulfonyl)piperazine-1-carboxylic acid tert-butyl ester; trimethylsilylacetylene; With triethylamine; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere of argon;

bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In dichloromethane; at 50 ℃; for 14h; Inert atmosphere of argon;

upstream raw materials:

4-bromobenzenesulfonyl chloride

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

1-(4-bromophenylsulphonyl)piperazine

4-[4-(5-nitro-pyrimidin-2-ylamino)-benzenesulfonyl]-piperazine-1-carboxylic acid tert-butyl ester

4-(4-trimethylsilanylethynyl-benzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester

1-benzo[b]thiophen-3-yl-3-[4-(4-bromobenzenesulfonyl)piperazin-1-yl]propan-1-one