tert-Butyl 4-((4-(bromomethyl)phenyl)sulfonyl)piperazine-1-carboxylate

Base Information

Chemical Name:tert-Butyl 4-((4-(bromomethyl)phenyl)sulfonyl)piperazine-1-carboxylate
CAS No.:138384-98-2
Molecular Formula:C16H23BrN2O4S
Molecular Weight:419.34
Hs Code.:
DSSTox Substance ID:DTXSID101139885
Mol file:138384-98-2.mol

Synonyms:138384-98-2;tert-Butyl 4-((4-(bromomethyl)phenyl)sulfonyl)piperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-[[4-(bromomethyl)phenyl]sulfonyl]-, 1,1-dimethylethyl ester;DTXSID101139885;tert-butyl 4-[4-(bromomethyl)phenyl]sulfonylpiperazine-1-carboxylate;1,1-Dimethylethyl 4-[[4-(bromomethyl)phenyl]sulfonyl]-1-piperazinecarboxylate

Suppliers and Price of tert-Butyl 4-((4-(bromomethyl)phenyl)sulfonyl)piperazine-1-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of tert-Butyl 4-((4-(bromomethyl)phenyl)sulfonyl)piperazine-1-carboxylate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:418.05619
Heavy Atom Count:24
Complexity:525

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of tert-Butyl 4-((4-(bromomethyl)phenyl)sulfonyl)piperazine-1-carboxylate

There total 4 articles about tert-Butyl 4-((4-(bromomethyl)phenyl)sulfonyl)piperazine-1-carboxylate 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: 96.0%

: 138384-99-3
1-(hydroxymethyl)-4-<<4-(tert-butoxycarbonyl)piperazinyl>sulfonyl>benzene

: 138384-98-2
1-(bromomethyl)-4-<<4-(tert-butoxycarbonyl)piperazinyl>sulfonyl>benzene

Guidance literature:: With carbon tetrabromide; triphenylphosphine; In dichloromethane; for 0.333333h;
DOI:10.1021/jm00082a006

Reference yield:

: 10130-89-9
p-carboxyphenylsulfonyl chloride

: 138384-98-2
1-(bromomethyl)-4-<<4-(tert-butoxycarbonyl)piperazinyl>sulfonyl>benzene

Guidance literature:: Multi-step reaction with 4 steps

1: 53 percent / DIEA / tetrahydrofuran / 1 h

2: 91 percent / K₂CO₃ / dimethylformamide / 0.33 h

3: 93 percent / 1 M DIBAL / tetrahydrofuran; hexane / 0.5 h

4: 96 percent / Ph₃P, CBr₄ / CH₂Cl₂ / 0.33 h

With carbon tetrabromide; diisobutylaluminium hydride; potassium carbonate; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In tetrahydrofuran; hexane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00082a006

Reference yield:

: 138384-97-1
methyl 4-<<4-(tert-butoxycarbonyl)piperazinyl>sulfonyl>benzoate

: 138384-98-2
1-(bromomethyl)-4-<<4-(tert-butoxycarbonyl)piperazinyl>sulfonyl>benzene

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / 1 M DIBAL / tetrahydrofuran; hexane / 0.5 h

2: 96 percent / Ph₃P, CBr₄ / CH₂Cl₂ / 0.33 h

With carbon tetrabromide; diisobutylaluminium hydride; triphenylphosphine; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1021/jm00082a006