Tert-butyl 4-(4-bromopyridin-2-YL)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(4-bromopyridin-2-YL)piperazine-1-carboxylate
• CAS No.: 1197294-80-6
• Molecular Formula: C14H20BrN3O2
• Molecular Weight: 342.236
• Hs Code.: 2933990090
• European Community (EC) Number: 812-075-4
• DSSTox Substance ID: DTXSID20682408
• Wikidata: Q82606789
• Mol file: 1197294-80-6.mol

Synonyms:TERT-BUTYL 4-(4-BROMOPYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE;1197294-80-6;MFCD13195778;1-Boc-4-(4-bromo-2-pyridyl)piperazine;SCHEMBL901264;AMY5897;DTXSID20682408;Tert-Butyl4-(4-bromopyridin-2-yl)piperazine-1-carboxylate;XXB29480;CS1701;AKOS015835337;DS-17083;SY066484;CS-0097693;FT-0737307;EN300-761454;A892432;4-(4-Bromopyridin-2-yl)piperazine, N1-BOC protected;tert-butyl 4-(4-Bromo-2-pyridyl)piperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester

Chemical Property of Tert-butyl 4-(4-bromopyridin-2-YL)piperazine-1-carboxylate

Chemical Property:

• Boiling Point: 442.8±45.0 °C(Predicted)
• PKA: 8.34±0.10(Predicted)
• PSA: 45.67000
• Density: 1.372±0.06 g/cm3(Predicted)
• LogP: 2.90410
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 341.07389
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-(4-Bromopyridin-2-yl)piperazine-1-carboxylate ^*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)C2=NC=CC(=C2)Br
• Uses: tert-butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate is a useful reactant for the synthesis of sulfonyl fluorides from aryl bromides with the help of a palladium catalyst.

Technology Process of Tert-butyl 4-(4-bromopyridin-2-YL)piperazine-1-carboxylate

There total 2 articles about Tert-butyl 4-(4-bromopyridin-2-YL)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: 78.0%

4-bromo-2-fluoropyridine (128071-98-7) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate (1197294-80-6)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 100 ℃; sealed tube;

Reference yield:

2,4-dibromopyridine (58530-53-3) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate (1197294-80-6)

Guidance literature:

With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 105 ℃; for 20h;

DOI:10.1016/j.bmcl.2017.01.016

Reference yield: 100.0%

tert-butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate (1197294-80-6) → {2-[4-(tert-butoxycarbonyl)piperazin-1-yl]pyridin-4-yl}boronic acid (1003043-73-9)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; bis(pinacol)diborane; In 1,4-dioxane; at 80 ℃;

DOI:10.1016/j.bmcl.2012.07.045

upstream raw materials:

4-bromo-2-fluoropyridine

1-t-Butoxycarbonylpiperazine

2,4-dibromopyridine

Downstream raw materials:

tert-Butyl 4-(4-(5-chloro-2-hydroxyphenyl)pyridin-2-yl)piperazine-1-carboxylate

tert-Butyl 4-(4-(4-(2-chloro-4-(N-(2,4-dimethoxybenzyl)-N-(1,3,4-thiadiazol-2-yl)sulfamoyl)-5-fluorophenoxy)-4'-(trifluoromethyl)biphenyl-3-yl)pyridin-2-yl)piperazine-1-carboxylate

5-Chloro-2-fluoro-4-({3-[2-(piperazin-1-yl)pyridin-4-yl]-4'-(trifluoromethyl)biphenyl-4-yl}oxy)-N-(pyrimidin-4-yl)benzenesulfonamide hydrochloride salt

tert-butyl 4-(4-(4-(2-chloro-4-(N-(2,4-dimethoxybenzyl)-N-(pyrimidin-4-yl)sulfamoyl)-5-fluorophenoxy)-4'-(trifluoromethyl)biphenyl-3-yl)pyridin-2-yl)piperazine-1-carboxylate

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