ChemicalBook > CAS DataBase List > 2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

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

Product Name
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)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;2-(4-chlorophenyl)-1-piperazinecarboxylic acid tert-butyl ester;1-Piperazinecarboxylic acid, 2-(4-chlorophenyl)-, 1,1-dimethylethyl ester
CBNumber
CB5354520
Molecular Formula
C15H21ClN2O2
Formula Weight
296.79
MOL File
769944-39-0.mol
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2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Property

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
C350670
Product name
2-(4-Chlorophenyl)piperazine-1-carboxylicAcidtert-ButylEster
Packaging
10mg
Price
$50
Updated
2021/12/16
TRC
Product number
C350670
Product name
2-(4-Chlorophenyl)piperazine-1-carboxylicAcidtert-ButylEster
Packaging
25mg
Price
$100
Updated
2021/12/16
AK Scientific
Product number
W8368
Product name
1-Boc-2-(4-Chlorophenyl)piperazine
Packaging
100mg
Price
$135
Updated
2021/12/16
AK Scientific
Product number
W8368
Product name
1-Boc-2-(4-Chlorophenyl)piperazine
Packaging
250mg
Price
$186
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
COR0001507
Product name
2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Purity
95.00%
Packaging
250MG
Price
$302.4
Updated
2021/12/16
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2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,Production

Synthesis

769944-38-9

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

Raw materials

Preparation Products

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

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769944-39-0, 2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERRelated Search:

(S)-2-(2,4-DICHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (S)-2-(4-CHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (R)-2-(3,4-DICHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (R)-2-(2,4-DICHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (R)-2-(4-CHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 2-(2,4-DICHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 2-(3,4-DICHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (S)-2-(3,4-DICHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • 1-Boc-2-(4-chlorophenyl)piperazine
  • tert-Butyl 2-(4-chlorophenyl)piperazine-1-carboxylate
  • 2-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • 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
  • 769944-39-0