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

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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

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Safety

HS Code: 2933599590

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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.

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: B998748
Product name: 4-(Bromoacetyl)-1-Boc-piperazine
Packaging: 500mg
Price: $350
Updated: 2021/12/16

Apolloscientific

Product number: OR452185
Product name: 4-(Bromoacetyl)-1-Boc-piperazine
Packaging: 1g
Price: $365
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB126821
Product name: tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate
Packaging: 5G
Price: $578
Updated: 2021/12/16

Matrix Scientific

Product number: 077445
Product name: tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate
Packaging: 1g
Price: $210
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB126821
Product name: tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate
Packaging: 250mg
Price: $57.5
Updated: 2021/12/16

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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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112257-12-2, tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylateRelated Search:

tert-butyl 4-(2-broMoacetyl)piperazine-1-carboxylate

1-(Bromoacetyl)-4-(tert-butoxycarbonyl)piperazine

4-(2-Bromoacetyl)-1-Piperazinecarboxylic acid 1,1-dimethylethyl ester

4-(Bromoacetyl)-1-piperazinecarboxylic acid tert-butyl ester

4-(BroMoacetyl)-1-Boc-piperazine

tert-Butyl 4-(bromoacetyl)piperazine-1-carboxylate

1-Piperazinecarboxylic acid, 4-(bromoacetyl)-, 1,1-dimethylethyl ester

1-Piperazinecarboxylic acid, 4-(2-bromoacetyl)-, 1,1-dimethylethyl ester

tert-Butyl 4-(bromoacetyl)-1-piperazinecarboxylate

1-Boc-4-(2-bromoacetyl)piperazine

112257-12-2

C11H19BrN2O3