1-Boc-piperazine

Base Information

• Chemical Name: 1-Boc-piperazine
• CAS No.: 57260-71-6
• Molecular Formula: C9H18N2O2
• Molecular Weight: 186.254
• Hs Code.: 29335995
• European Community (EC) Number: 611-489-0
• UNII: LBC2X3S28C
• DSSTox Substance ID: DTXSID30205884
• Nikkaji Number: J393.816F
• Wikipedia: 1-boc-piperazine
• Wikidata: Q72504106
• Mol file: 57260-71-6.mol

Synonyms:1-Boc-piperazine;57260-71-6;tert-butyl piperazine-1-carboxylate;N-Boc-piperazine;1-N-Boc-piperazine;tert-Butyl 1-piperazinecarboxylate;1-(tert-Butoxycarbonyl)piperazine;N-t-Butoxycarbonylpiperazine;piperazine-1-carboxylic acid tert-butyl ester;t-butyl piperazine-1-carboxylate;MFCD00075265;1-boc piperazine;1-piperazinecarboxylic acid, 1,1-dimethylethyl ester;t-Butyl 1-piperazincarboxylate;n-(tert-butoxycarbonyl)piperazine;LBC2X3S28C;N-tert-butoxycarbonylpiperazine;t-Butyl 1-piperaziencarboxylate;tert-butylpiperazine-1-carboxylate;EC 611-489-0;tert-butyl tetrahydropyrazine-1(2h)-carboxylate;1-boc-piperazine;N-BOC-Piperazine;1-(1,1-dimethylethoxycarbonyl)piperazine;1-[1,1-dimethylethoxycarbonyl]piperazine;1-Boc-piperazine acetic acid;boc-piperazine;tert-butyloxycarbonylpiperazine;Boc piperizine;N-Bocpiperazine;tert-butyl piperazinecarboxylate;1-Bocpiperazine;BOC piperazine;N-Boc piperazine;N-Boc piperizine;1-Boc piperizine;4-Boc-piperazine;n-boc -piperazine;1-BOC-piperizine;mono-boc piperizine;1-(Boc)piperazine;4-N-boc-piperazine;Mono-BOC-piperazine;t-butoxycarbonylpiperazine;t-butoxycarbonyl-piperazine;t-butylpiperazinecarboxylate;1-Boc-piperazine, 97%;UNII-LBC2X3S28C;1-t-butoxycarbonylpiperazine;SCHEMBL8286;tert-butoxycarbonylpiperazine;t-butyl piperazinecarboxylate;t-butyloxycarbonyl piperazine;T-butylpiperazine carboxylate;1-t-butoxycarbonyl piperazine;1-t-butoxycarbonyl-piperazine;1-tertbutoxycarbonylpiperazine;N-t-butoxycarbonyl piperazine;piperazine, n1-boc protected;tert-butoxycarbonyl piperazine;1-t-butyloxycarbonylpiperazine;1-ter-butoxycarbonylpiperazine;t-butyl piperazine carboxylate;tert-butylpiperazinecarboxylate;(tert-butoxycarbonyl)piperazine;1-N-t-butoxycarbonylpiperazine;1-tert-butoxycarbonylpiperazine;4-tert-butoxycarbonylpiperazine;N-(t-butoxycarbonyl)piperazine;n-tert-butoxycarbonyl-piperazin;t-butylpiperazin-1-carboxylate;tert butoxy carbonyl piperazine;1 -t-butoxycarbonyl piperazine;1-(t-Butoxycarbonyl)piperazine;1-tertbutyloxycarbonylpiperazine;4-(t-butoxycarbonyl)piperazine;tert butyl piperazinecarboxylate;tert.butyloxycarbonyl-piperazine;1-tert-butoxycarbonyl-piperazin;1-tert-butyloxycarbonylpiperazin;N-terbutyloxycarbonyl-piperazine;n-tert-butoxycarbonyl-piperazine;t-butyl 1-piperazinecarboxylate;t-butyl-1-piperazinecarboxylate;t-butylpiperazine-1-carboxylate;N-(tertbutoxycarbonyl)piperazine;N-tert-butoxycarbonyl piperazine;n-tert-butyloxycarbonylpiperazine;N-tert.butoxycarbonyl-piperazine;1(tert-butoxycarbonyl)piperazine;1-(t-butoxycarbonyl )piperazine;1-(t-butoxycarbonyl) piperazine;1-tert-butoxycarbonyl piperazine;1-tert-Butoxycarbonyl-piperazine;1-tert-butyloxycarbonylpiperazine;1-tert.-butoxycarbonylpiperazine;t-butyl piperazine-l-carboxylate;t-butyl piperazine-n-carboxylate;tert-butyl-piperazine carboxylate;tertbutyl 1-piperazinecarboxylate;tertbutyl-1-piperazinecarboxylate;t-butyl 1-piperazine carboxylate;t-butyl-1-piperazine carboxylate;t-butyl-1-piperazine-carboxylate;tert-butyl 1-piperazinecaboxylate;tert-butyl-1-piperzinecarboxylate;tert-butylpiperazin-1-carboxylate;4-(tert-butoxycarbonyl)piperazine;DTXSID30205884;tert-butyl l-piperazinecarboxylate;1-tert-butyl piperazinecarboxylate;1-tert-butyloxycarbonyl-piperazine;N-tert-butyloxycarbonyl piperazine;N-tert-butyloxycarbonyl-piperazine;tert-butyl 1 piperazinecarboxylate;tert-butyl piperazine-1carboxylate;tert-butyl-1-piperazinecarboxylate;N-(tert-butoxy carbonyl)piperazine;N-(tert-butoxycarbonyl)-piperazine;tert-butyl piperazin-1-carboxylate;1- (tert-butoxycarbonyl)piperazine;1-(tert-butoxycarbonyl)-piperazine;1-(tert-butoxycarbonyl)-piperizine;N-(tert-butyloxycarbonyl)piperazine;1-tert.-butyloxycarbonyl-piperazine;BCP04907;CS-B0963;STR03894;tert-butyl 1-piperazine carboxylate;tert-butyl 1-piperazine-carboxylate;tert-butyl piperazine-1 carboxylate;tert-butyl piperizine-1-carboxylate;tert-butyl-1-piperazine carboxylate;Tert-butyl-1-piperazine-carboxylate;tert-butyl-piperazine-1-carboxylate;tert.butyl 1-piperazine carboxylate;tert.butyl piperazine-1-carboxylate;tert.butyl-piperazine-1-carboxylate;n-(tert-butyloxycarbonyl)-piperazine;N-(tert.butyloxycarbonyl)-piperazine;1-(tertiary butoxycarbonyl)piperazine;1-tert-butyl 1-piperazinecarboxylate;STK125749;tert-Butyl 1-piperazinecarboxylate #;tert. butyl piperazine-1-carboxylate;tert.-butyl piperazine-1-carboxylate;tert.-butyl-piperazine-1-carboxylate;(1,1-dimethylethoxy)carbonylpiperazine;AKOS000365379;1,1-dimethylethyl piperazinecarboxylate;AB02865;AC-1098;PS-3951;SB11222;1-Boc-piperazine, >=98.0% (GC);1,1-Dimethylethyl 1-piperazinecarboxylate;1-piperazinecarboxylic acid t-butyl ester;BP-12039;HY-30105;piperazin-1-carboxylic acid t-butyl ester;piperazine-1-carboxylic acid t-butylester;1-(1,1-dimethyl-ethoxycarbonyl)piperazine;1-(1,1-dimethylethoxycarbonyl) piperazine;1-(1,1-dimethylethoxycarbonyl)-piperazine;1-(TERT-BUTYLOXYCARBONYL)PIPERAZINE;piperazine carboxylic acid tert-butyl ester;piperazine-1-carboxylic acid t-butyl ester;piperazine-carboxylic acid tert-butyl ester;1,1-dimethylethyl 1-piperazine carboxylate;1,1-dimethylethyl 1-piperazine-carboxylate;1,1-dimethylethyl piperazine-1-carboxylate;1-(1,1-dimethylethyloxycarbonyl)piperazine;1-piperazinecarboxylic acid tert-butyl ester;A8166;AM20080327;B2415;BB 0258987;FT-0601105;FT-0648906;FT-0688673;piperazin-1-carboxylic acid tert-butyl ester;piperazine carboxylic acid tert -butyl ester;piperazine-l-carboxylic acid tert-butyl ester;piperazine-N-carboxylic acid tert-butyl ester;1-piperazine carboxylic acid tert-butyl ester;EN300-25694;piperazine 1-carboxylic acid tert butyl ester;piperazine 1-carboxylic acid tert-butyl ester;piperazine-1-carboxylic acid tert butyl ester;piperazine-1-carboxylic acid tert.butyl ester;piperazine-1-carboxylic acid-tert-butyl ester;piperazine-4-carboxylic acid tert-butyl ester;piperazin-1-yl carboxylic acid tert-butyl ester;piperazine-1-carboxylic acid, tert-butyl ester;J-650366;Q-102957;Z57318234;F1652-2152

Chemical Property of 1-Boc-piperazine

Chemical Property:

• Appearance/Colour: crystalline powder
• Vapor Pressure: 0.0141mmHg at 25°C
• Melting Point: 43-47 °C(lit.)
• Boiling Point: 258 °C at 760 mmHg
• PKA: 8.45±0.10(Predicted)
• Flash Point: 109.8 °C
• PSA: 41.57000
• Density: 1.03 g/cm³
• LogP: 1.09340
• Storage Temp.: Refrigerator
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in ethyl acetate, methanol and water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.136827821
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

N-Boc-piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNCC1
• Uses: N-Boc-piperazine is a compound useful in organic synthesis. 1-Boc-piperazine undergoes Buchwald-Hartwig amination with various aryl halides to form corresponding amine derivatives. It can be used to synthesize monosubstituted piperazine intermediates of many bioactive molecules and piperazine containing drug substances, such as trazodone. 1-Boc-piperazine may be used in:preparation of series of (m-phenoxy)phenyl substituted piperazine derivativestermination step during synthesis of α,β-poly(2-oxazoline) lipopolymers via living cationic ring opening polymerizationpreparation of monosubstituted piperazines, e.g. in the synthesis of indazole DNA gyrase inhibitors

Technology Process of 1-Boc-piperazine

There total 33 articles about 1-Boc-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: 99.0%

C19H22F6N2O4 (1448041-79-9) → 3,5-bis(trifluoromethyl)benzylchloride (75462-61-2) + 1-t-Butoxycarbonylpiperazine (57260-71-6)

Guidance literature:

With samarium diiodide; water; triethylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1039/c3cc41642a

Reference yield: 98.6%

piperazine (110-85-0) + di-tert-butyl dicarbonate (24424-99-5) → 1-t-Butoxycarbonylpiperazine (57260-71-6)

Guidance literature:

piperazine; With 2-chlorotrityl resin; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 12h;

di-tert-butyl dicarbonate; With triethylamine; In dichloromethane; at 20 ℃; for 4h;

With trifluoroacetic acid; In dichloromethane;

DOI:10.1055/s-2004-815404

Reference yield: 95.6%

C9H16N2O2 → 1-t-Butoxycarbonylpiperazine (57260-71-6)

Guidance literature:

With methanol; sodium tetrahydroborate; at 25 ℃; for 1h; Reagent/catalyst;

upstream raw materials:

piperazine

N-(tert-butyloxycarbonyl) azide

di-tert-butyl dicarbonate

1-(tert-butyl) 4-methyl piperazine-1,4-dicarboxylate

Downstream raw materials:

4-butyl-piperazine-1-carboxylic acid tert-butyl ester

4-(3-methyl-4-nitrophenyl)-piperazine-1-carboxylic acid tert-butyl ester

2-{3-[4-(3-Piperazin-1-yl-propyl)-phenoxy]-propyl}-isoindole-1,3-dione

tert-butylpiperazine-4-[[(4′-chloromethyl)benzoyl]-1′-carbonyl]-1-carboxylate

Refernces

• 1、 Garivet, Guillaume,Hofer, Walter,Konitsiotis, Antonios,Klein, Christian,Kaiser, Nadine,Mejuch, Tom,Fansa, Eyad,Alsaabi, Rania,Wittinghofer, Alfred,Bastiaens, Philippe I.H.,Waldmann, Herbert. "Small-Molecule Inhibition of the UNC-Src Interaction Impairs Dynamic Src Localization in Cells". . p. 842 - 7,851. Retrieved 2019.
• 2、 Wu,MacCoss,Ikeler,Hirshfield,Arison,Tolman. "Annelated piperazinyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidines". . p. 1559 - 1563. Retrieved 1990.
• 3、 Lu,Xie,Chen,Yang. "Synthesis of new soluble dendrimers on poly(ethylene glycole) sublayer". . p. 788 - 791. Retrieved 2009.
• 4、 Nunes, Paulo Sérgio Gon?alves,da Silva, Gabriel,Nascimento, Sofia,Mantoani, Susimaire Pedersoli,de Andrade, Peterson,Bernardes, Emerson Soares,Kawano, Daniel Fábio,Leopoldino, Andreia Machado,Carvalho, Ivone. "Synthesis, biological evaluation and molecular docking studies of novel 1,2,3-triazole-quinazolines as antiproliferative agents displaying ERK inhibitory activity". supporting information. . Retrieved 2021/05/26.
• 5、 Budde, Thomas,Grey, Lucie,Heitman, Laura H.,Hundehege, Petra,Isaak, Andreas,Junker, Anna,Koch, Oliver,Michetti, Lucia,Patberg, Marius,Schulte, Janine,Vinnenberg, Laura,van der Horst, Cas,Füsser, Friederike,Ortiz Zacarías, Natalia V.. "Piperazine squaric acid diamides, a novel class of allosteric P2X7 receptor antagonists". . . Retrieved 2021/09/28.