N-4-Boc-2-piperazinecarboxylic acid
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N-4-Boc-2-piperazinecarboxylic acid
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CAS No:
128019-59-0
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Formula:
C10H18N2O4
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Chemical Name:
N-4-Boc-2-piperazinecarboxylic acid
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Synonyms:
(R)-4-Boc-piperazine-2-carboxylid acid;1-Boc-piperazine-3-carboxylicacid,4-(tert-Butoxycarbonyl)piperazine-2-carboxylicacid,Piperazine-1,3-dicarboxylicacid1-tert-butylester;(^+)-4-Boc-piperazine-2-carboxylic acid hydrate, 95%;4-Boc-2-piperazinecarboxylic acid;4-Boc-piperazine-2-carboxylic acid,1-Boc-piperazine-3-carboxylic acid, 4-(tert-Butoxycarbonyl)piperazine-2-carboxylic acid, Piperazine-1,3-dicarboxylic acid 1-tert-butyl ester;4-BOCpiperazin-2-carboxylic acid;4-N-Boc-2-piperazinecarboxylic acid;N4-Boc-piperazine-2-carboxylic acid
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CAS No:
Characteristics
78.9
-2.2
1.193±0.06 g/cm3(Predicted)
231-239 °C
371.8±37.0 °C(Predicted)
178.6±26.5 °C
1.495
Slightly soluble in water.
2.65E-06mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-43-36
26-36/37/39-36/37
Xi
P280-P305 + P351 + P338
H317-H319
|Warning|H315 (13.04%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-4-Boc-2-piperazinecarboxylic acid Use and Manufacturing
To a stirred suspension of piperazine-2-carboxylic acid (SM) (5 g, 24.6 mmol ) in 1, 4-dioxane: water (1 : 1, 100 mL) was added NaHCC>3 (3.1 g, 36.9 mmol) followed by Boc-anhydride (5.6 mL, 24.6 mmol) at 0 °C under nitrogen atmosphere. The reaction mixture was warmed to RT and stirred for 16 h. After consumption of the starting material (by TLC), the reaction was diluted with water (50 mL) and extracted with Et
Computed Properties
Molecular Weight:230.26
XLogP3:-2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:230.12665706
Monoisotopic Mass:230.12665706
Topological Polar Surface Area:78.9
Heavy Atom Count:16
Complexity:285
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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