ChemicalBook--->CAS DataBase List--->304897-49-2

304897-49-2

304897-49-2 Structure

304897-49-2 Structure
IdentificationBack Directory
[Name]

4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester
[CAS]

304897-49-2
[Synonyms]

4-(4-Boc-piperazin-1-yl-methyl)aniline
4-(1-BOC-PIPERAZIN-4-YL-METHYL)-ANILINE
4-(4-Aminobenzyl)piperazine, N1-BOC protected
4-(4-tert-butoxycarbonyl-piperazino-methyl)-aniline
tert-butyl 4-(4-aMinobenzyl)piperazine-1-carboxylate
4-(4-aminobenzyl)piperazine-1-carboxylic acid tertbut
ert-butyl4-[(4-aminophenyl)methyl]piperazine-1-carboxylate
tert-butyl 4-[(4-aMinophenyl)Methyl]piperazine-1-carboxylate
4-(4-AMINOBENZYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(4-AMINOBENZYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 95+%
1-Piperazinecarboxylic acid, 4-[(4-aMinophenyl)Methyl]-, 1,1-diMethylethyl ester
4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester ISO 9001:2015 REACH
tert-Butyl 4-(4-aminobenzyl)piperazine-1-carboxylate, 4-{[4-(tert-Butoxycarbonyl)piperazin-1-yl]methyl}aniline
[Molecular Formula]

C16H25N3O2
[MDL Number]

MFCD06797795
[MOL File]

304897-49-2.mol
[Molecular Weight]

291.39
Chemical PropertiesBack Directory
[Boiling point ]

413.6±40.0 °C(Predicted)
[density ]

1.136±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

solid
[pka]

7.16±0.10(Predicted)
[Appearance]

White to yellow Solid
Questions And AnswerBack Directory
[Uses]

4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester is a carboxylic acid ester derivative and can be used as a pharmaceutical intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933599590
Spectrum DetailBack Directory
[Spectrum Detail]

4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester(304897-49-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-(4-NITROBENZYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

130636-61-2

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

304897-49-2

Tert-butyl 4-(4-nitrobenzyl)piperazine-1-carboxylate (1.100 g, 3.423 mmol) was added to a solvent mixture of tetrahydrofuran solution (20 mL) of ammonium chloride (0.915 g, 17.114 mmol) and zinc powder (1.119 g, 17.114 mmol) with water (20 mL) as starting material, and the reaction was stirred for 12 h at room temperature. . Upon completion of the reaction, the reaction mixture was filtered to remove solid impurities. Water was added to the filtrate and subsequently extracted with ethyl acetate. The organic layer was washed with saturated aqueous sodium chloride solution, dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The resulting product, tert-butyl 4-(4-aminobenzyl)piperazine-1-carboxylate (0.900 g, 90.2% yield), was a yellow solid and could be used in subsequent reactions without further purification.

[References]

[1] Bioorganic and Medicinal Chemistry, 2005, vol. 13, # 19, p. 5592 - 5599
[2] Patent: US2004/34033, 2004, A1. Location in patent: Page/Page column 12; Sheet 1
[3] Patent: WO2017/18803, 2017, A1. Location in patent: Paragraph 1492; 1493; 1494
[4] Patent: WO2016/146220, 2016, A1. Location in patent: Page/Page column 26; 27
[5] Journal of Medicinal Chemistry, 2018, vol. 61, # 4, p. 1499 - 1518
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