1-Boc-(4-benzyl)piperazine
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1-Boc-(4-benzyl)piperazine
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CAS No:
57260-70-5
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Formula:
C16H24N2O2
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Chemical Name:
1-Boc-(4-benzyl)piperazine
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Synonyms:
4-BENZYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-BENZYL-1-T-BUTOXYCARBONYLPIPERAZINE;4-BENZYL-1-BOC-PIPERAZINE;1-Benzyl-4-(tert-butoxycarbonyl)piperazine~tert-Butyl 4-benzyl-1-piperazinecarboxylate;1-N-Boc-4-benzylpiperazine;1-Benzyl-4-(tert-butoxycarbonyl)piperazine;1-Boc-4-Benzylpiperazine;1-(1,1-diMethylethoxycarbonyl)4-phenylMethylpiperazine
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CAS No:
Safety Information
NONH for all modes of transport
3
36/37/38
26-37/39
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Boc-(4-benzyl)piperazine Use and Manufacturing
To the stirred solution of tert-butyl piperazine-l-carboxylate (6.0 g, 33.0 mmol, 1.0 eq) in acetonitrile (60 niL), the reaction mixture was cooled at 0 °C, then added triethylamine (22 mL, 161 mmol, 5.0eq) and (bromomethyl)benzene (6.0 mL, 35.0 mmol, 1.1 eq) drop wise. The reaction mixture was stirred at room temperature for about 6 hours. The reaction mixture was diluted with water and extracted with CHStep 1 : tert-Butyl 4-benzylpiperazine-l-carboxylate (0754) [00268] To a solution of compound A3-1 (20.0 g, 107 mmol, 1.0 eq) and (0755) bromomethylbenzene (22.0 g, 129 mmol, 1.2 eq) in CHTo a 25 mL flask was added TEA (177 mg, 244 ).ll, 1.75 mmol), tert-butyl piperazine-1-carboxylate (240 mg, 1.29 mmol), (bromomethyl)benzene (200 mg, 139 ).ll, 1.17 mmol) andDCM (4 mL). The colorless solution was stirred at rt for 3 hrs. The reaction mixture wasconcentrated to give a white solid. Then it was purified by silica gel column chromatography(eluted with EA/PE=15- 30percent ), about 177 mg tert-butyl4-benzylpiperazine-1-carboxylate20 (Compound lOA) was obtained as a colorless oil. MS: calc'd 277 (M+Ht, measured 277(M+HtGeneral procedure: Amine (1 mmol) and di-tert-butyl dicarbonate [(Boc)2O] (1.1 mmol) were placed in a microwave reaction vial. The LG microwave oven MG 555f was programmed to 300 W at 100 °C. The reaction was monitored using TLC. After the reaction, ice water was added to the reaction mixture which resulted in the precipitation of the product. The solid product was merely filtered off and washed with excess cold water. The product was pure enough for all practical purposes. For characterization purpose, it was further purified by column chromatography (Neutral Alumina as adsorbent, solvent system: Hexane: Ethyl acetate (7.5:2.5)).#10;[Referential Example 158] 1-Benzyl-4-tert-butoxycarbonylpiperazine
Computed Properties
Molecular Weight:276.37
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:276.183778013
Monoisotopic Mass:276.183778013
Topological Polar Surface Area:32.8
Heavy Atom Count:20
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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