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2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester

CAS No.
769944-39-0
Chemical Name:
2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester
Synonyms
1-Boc-2-(4-chlorophenyl)piperazine;t-Butyl 2-(4-chlorophenyl)piperazine-1-carboxylate;tert-Butyl 2-(4-chlorophenyl)piperazine-1-carboxylate;2-(4-chlorophenyl)-1-piperazinecarboxylic acid tert-butyl ester;2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester;1-Piperazinecarboxylic acid, 2-(4-chlorophenyl)-, 1,1-dimethylethyl ester
CBNumber:
CB5354520
Molecular Formula:
C15H21ClN2O2
Molecular Weight:
296.79
MDL Number:
MFCD08275679
MOL File:
769944-39-0.mol
Last updated:2026-09-12 18:53:30

2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester Properties

storage temp. 2-8°C
InChI InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-8-17-10-13(18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3
InChIKey BYPYEMNCKKTEFT-UHFFFAOYSA-N
SMILES N1(C(OC(C)(C)C)=O)CCNCC1C1=CC=C(Cl)C=C1

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester price More Price(36)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Matrix Scientific 071933 1-Boc-2-(4-Chlorophenyl)piperazine 769944-39-0 250.00mg $52 2026-05-18 Buy
Matrix Scientific 071933 1-Boc-2-(4-Chlorophenyl)piperazine 769944-39-0 1.00g $138 2026-05-18 Buy
Matrix Scientific 071933 1-Boc-2-(4-Chlorophenyl)piperazine 769944-39-0 5.00g $499 2026-05-18 Buy
Synthonix B58390 tert-Butyl 2-(4-chlorophenyl)piperazine-1-carboxylate 95+% 769944-39-0 100mg $100 2026-05-06 Buy
Synthonix B58390 tert-Butyl 2-(4-chlorophenyl)piperazine-1-carboxylate 95+% 769944-39-0 250mg $140 2026-05-06 Buy
Product number Packaging Price Buy
071933 250.00mg $52 Buy
071933 1.00g $138 Buy
071933 5.00g $499 Buy
B58390 100mg $100 Buy
B58390 250mg $140 Buy

2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester Chemical Properties, Uses, Production

Synthesis

1-Piperazinecarboxylic acid, 2-(4-chlorophenyl)-3-oxo-, 1,1-dimethylethyl ester

769944-38-9

2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

769944-39-0

General procedure for the synthesis of tert-butyl 2-(4-chlorophenyl)piperazine-1-carboxylate from the compound (CAS: 769944-38-9): a solution of 4-(tert-butoxycarbonyl)-3-(4-chlorophenyl)piperazin-2-one (500 mg, 1.6 mmol) and acetic acid (929 μL, 16 mmol) was added to refluxing 1,4-dioxane (5 mL ), followed by sodium borohydride (608 mg, 16 mmol). The reflux reaction was continued. Upon completion of the reaction, the reaction was quenched with water, the organic phase was extracted with dichloromethane and washed with brine and the organic phase was dried. After removing the solvent under reduced pressure, the residue was purified by silica gel column chromatography to afford 4-(tert-butoxycarbonyl)-3-(4-chlorophenyl)piperazine (330 mg, 69% yield).1H-NMR (CDCl3) δ 1.46 (9H, s), 2.76-2.99 (3H, m), 3.13 (1H, dd, J = 13.0 Hz, 4.3 Hz), 3.45-3.49 (3H, m). 3.45-3.49 (2H, m), 3.92 (1H, m), 5.15 (1H, s), 7.27-7.33 (4H, m).

References

[1] Patent: WO2004/85408, 2004, A1. Location in patent: Page 264
[2] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 16, p. 3726 - 3732

2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester Preparation Products And Raw materials

2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester Suppliers

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Pure Chemistry Scientific Inc. 001-857-928-2050 or 1-888-588-9418 sales@chemreagents.com United States 10174 62
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1-Boc-2-(4-chlorophenyl)piperazine tert-Butyl 2-(4-chlorophenyl)piperazine-1-carboxylate t-Butyl 2-(4-chlorophenyl)piperazine-1-carboxylate 2-(4-chlorophenyl)-1-piperazinecarboxylic acid tert-butyl ester 1-Piperazinecarboxylic acid, 2-(4-chlorophenyl)-, 1,1-dimethylethyl ester 2-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester 769944-39-0