4-Boc-2-piperazinecarboxamide
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4-Boc-2-piperazinecarboxamide
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CAS No:
112257-24-6
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Formula:
C10H19N3O3
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Chemical Name:
4-Boc-2-piperazinecarboxamide
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Synonyms:
4-Boc-2-piperazinecarboxamide;Tert-butyl3-carbamoylpiperazine-1-carboxylate;1-Boc-3-carbaMoylpiperazine;1-Piperazinecarboxylic acid, 3-(aMinocarbonyl)-, 1,1-diMethylethyl ester;3-Carbamoyl-piperazine-1-carboxylic acid tert-butyl ester;4-(tert-Butoxycarbonyl)piperazine-2-carboxamide;tert-Butyl 3-aminocarbonyl-1-piperazinecarboxylate
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CAS No:
4-Boc-2-piperazinecarboxamide Use and Manufacturing
The N-1- t-butoxycarbonyl-3-piperazine carboxylate (500mg, 2.04mmol) and a solution of ammonia inmethanol (7M, 10mL) placed in 100mL A sealed tube, 60 C reaction, 12h after stopping the reaction, thesolvent was spin to give 450mg white solid, yield: 95%.A mixture of 1-tert-butyl 3-methyl piperazine-1, 3-dicarboxylate (500 mg, 2.04 mmol) and an ammonia methanol solution (7 M, 10mL) in a 100 mL of sealing tube was stirred at 60 for 12 h and concentratedto give the title compound as a white solid (450 mg, 95) . 1H NMR (400 MHz, CD3OD): delta ppm 4.01-4.08 (m, 1H) , 3.65-3.88 (m, 1H) , 3.31-3.38 (m, 1H) , 2.90-3.12(m, 3H) , 2.73-2.82 (m, 1H) , 1.47 (s, 9H) and MS-ESI: m/z 130.20 [M+H-100] +.A mixture of (S) -2- (3- (benzyloxy) -4- (difluoromethoxy) phenyl) -5- (1- ( (tert-butoxy carbonyl) amino) ethyl) oxazole-4-carboxylic acid (300 mg, 0.595 mmol) , EDCI (170 mg, 0.892 mmol) and HOAT (125 mg, 0.892 mmol) in DCM (20 mL) was stirred at rt for 30 min, and
Computed Properties
Molecular Weight:229.28
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:229.14264148
Monoisotopic Mass:229.14264148
Topological Polar Surface Area:84.7
Heavy Atom Count:16
Complexity:286
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes