tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylate
- Product Name
- tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylate
- CAS No.
- 112257-12-2
- Chemical Name
- tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylate
- Synonyms
- 4-(BroMoacetyl)-1-Boc-piperazine;1-Boc-4-(2-bromoacetyl)piperazine;1-(Bromoacetyl)-4-(tert-butoxycarbonyl)piperazine;tert-Butyl 4-(bromoacetyl)-1-piperazinecarboxylate;tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate;tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylate;4-(Bromoacetyl)-1-piperazinecarboxylic acid tert-butyl ester;4-(2-Bromoacetyl)-1-Piperazinecarboxylic acid 1,1-dimethylethyl ester;1-Piperazinecarboxylic acid, 4-(bromoacetyl)-, 1,1-dimethylethyl ester;1-Piperazinecarboxylic acid, 4-(2-bromoacetyl)-, 1,1-dimethylethyl ester
- CBNumber
- CB42561376
- Molecular Formula
- C11H19BrN2O3
- Formula Weight
- 307.18
- MOL File
- 112257-12-2.mol
tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylate Property
- Boiling point:
- 391.5±37.0 °C(Predicted)
- Density
- 1.395
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.41±0.70(Predicted)
- Appearance
- White to light yellow Solid
Safety
- HS Code
- 2933599590
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.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- B998748
- Product name
- 4-(Bromoacetyl)-1-Boc-piperazine
- Packaging
- 500mg
- Price
- $350
- Updated
- 2021/12/16
- Product number
- FB126821
- Product name
- tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate
- Packaging
- 250mg
- Price
- $57.5
- Updated
- 2021/12/16
- Product number
- FB126821
- Product name
- tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate
- Packaging
- 500mg
- Price
- $100
- Updated
- 2021/12/16
- Product number
- 077445
- Product name
- tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate
- Packaging
- 500mg
- Price
- $168
- Updated
- 2021/12/16
- Product number
- FB126821
- Product name
- tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate
- Packaging
- 1g
- Price
- $170
- Updated
- 2021/12/16
tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylate Chemical Properties,Usage,Production
Uses
4-(Bromoacetyl)-1-Boc-piperazine is an inhibitor of transglutaminase.
Synthesis
598-21-0
57260-71-6
112257-12-2
The reaction system was cooled to -78 °C under an inert atmosphere and bromoacetyl bromide (53.7 mmol, 1 eq.) was added slowly and dropwise to a solution of N-BOC-piperazine (53.7 mmol, 1 eq.) and triethylamine (59.1 mmol, 1.1 eq.) dissolved in dichloromethane (150 mL). The reaction mixture was stirred continuously at -78 °C for 3 h. The reaction mixture was subsequently diluted with dichloromethane (75 mL) and washed with deionized water. The organic layer was separated, dried over anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The crude product was recrystallized with ether, filtered and dried in vacuum to give tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate (6q). The product was a white solid with 78% yield and melting point 23-242°C. The product was a white solid with a melting point of 23-242°C. The product was a white solid with 78% yield. Molecular weight: 307.18 g/mol. IR spectrum (KBr, cm?1): 2965(m), 1689(s), 1632(s), 1417(s), 1246(s), 1167(s), 1023(m). NMR hydrogen spectrum (250 MHz, CDCl?) δ: 3.87 (s, 2H), 3.61-3.57 (m, 2H), 3.55-3.47 (m, 4H), 3.46-3.41 (m, 2H), 1.46 (s, 9H). NMR carbon spectrum (63 MHz, CDCl?) δ: 165.5 (Cq), 154.5 (Cq), 80.5 (Cq), 46.6 (2CH?), 40.9 (2CH?), 28.4 (3CH?), 25.7 (CH?).
References
[1] Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 556 - 565
[2] Beilstein Journal of Organic Chemistry, 2013, vol. 9, p. 1407 - 1413
[3] Patent: US2016/168156, 2016, A1. Location in patent: Paragraph 0510; 0511
[4] Patent: WO2014/57266, 2014, A1. Location in patent: Page/Page column 61
[5] Tetrahedron, 1998, vol. 54, # 16, p. 3999 - 4012
tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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