ChemicalBook > CAS DataBase List > 4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER

4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER

Product Name
4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
CAS No.
655225-01-7
Chemical Name
4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
Synonyms
tert-Butyl 4-(2-bromoethyl);1-Boc-4-(2-BroMoethyl)piperazine;1-(2-Bromoethyl)-4-Boc-piperazine;tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate;4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER;1-Piperazinecarboxylic acid, 4-(2-bromoethyl)-, 1,1-dimethylethyl ester
CBNumber
CB6743967
Molecular Formula
C11H21BrN2O2
Formula Weight
293.2
MOL File
655225-01-7.mol
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4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER Property

Boiling point:
331.5±37.0 °C(Predicted)
Density 
1.294±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Store in freezer, under -20°C
pka
6.01±0.10(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C11H21BrN2O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9H2,1-3H3
InChIKey
IWSFZKCIZFXAFT-UHFFFAOYSA-N
SMILES
N1(C(OC(C)(C)C)=O)CCN(CCBr)CC1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

P280Wear protective gloves/protective clothing/eye protection/face protection.

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

AK Scientific
Product number
6548BB
Product name
Tert-butyl4-(2-bromoethyl)piperazine-1-carboxylate
Packaging
250mg
Price
$253
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0012645
Product name
4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
Purity
95.00%
Packaging
250MG
Price
$278.25
Updated
2021/12/16
Matrix Scientific
Product number
121498
Product name
tert-Butyl4-(2-bromoethyl)-piperazine-1-carboxylate
Packaging
5g
Price
$1085
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0012645
Product name
4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
Purity
95.00%
Packaging
1G
Price
$1188.5
Updated
2021/12/16
Ambeed
Product number
A116534
Product name
tert-Butyl4-(2-bromoethyl)piperazine-1-carboxylate
Purity
97%
Packaging
100mg
Price
$26
Updated
2021/12/16
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4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER Chemical Properties,Usage,Production

Synthesis

77279-24-4

655225-01-7

General procedure for the synthesis of N-BOC-4-bromoethylpiperazine from tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate: carbon tetrabromide (1.681 g, 5.07 mmol) was dissolved in dichloromethane (17 ml) and cooled in an ice bath. Subsequently, tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate (1.062 g, 4.61 mmol) and triphenylphosphine (1.329 g, 5.07 mmol) were added to this solution. The reaction mixture was stirred overnight at room temperature and additional dichloromethane (11 ml) was added. After completion of the reaction, the solvent was removed by evaporation. The residue was purified by silica gel column chromatography (using a SNAP ULTRA 25g column with hexane/ethyl acetate solvent mixture as eluent) to afford N-BOC-4-bromoethylpiperazine (1.131 g, 83.7% yield) as a yellow solid.

References

[1] Patent: JP2016/124812, 2016, A. Location in patent: Paragraph 0367
[2] Patent: WO2013/64919, 2013, A1. Location in patent: Page/Page column 37; 38
[3] Journal of Medicinal Chemistry, 2004, vol. 47, # 3, p. 711 - 719
[4] Patent: WO2010/39947, 2010, A1. Location in patent: Page/Page column 98

4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER Suppliers

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655225-01-7, 4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTERRelated Search:

4-(2-BROMOPROPYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER 4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER

  • 4-(2-BROMOETHYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
  • tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate
  • 1-Boc-4-(2-BroMoethyl)piperazine
  • tert-Butyl 4-(2-bromoethyl)
  • 1-(2-Bromoethyl)-4-Boc-piperazine
  • 1-Piperazinecarboxylic acid, 4-(2-bromoethyl)-, 1,1-dimethylethyl ester
  • 655225-01-7
  • C11H21BrN2O2