1-Boc-3-aminoindazole
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1-Boc-3-aminoindazole
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CAS No:
1204298-58-7
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Formula:
C12H15N3O2
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Chemical Name:
1-Boc-3-aminoindazole
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Synonyms:
tert-Butyl 3-amino-1H-indazole-1-carboxylate;1-BOC-3-AMINOINDAZOLE;tert-butyl 3-aminoindazole-1-carboxylate;SCHEMBL5822952;CTK8B8385;DTXSID90719871;ANW-60253;ZINC44831998;AKOS016003330;CS-W007138
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CAS No:
1-Boc-3-aminoindazole Use and Manufacturing
150mg (1.13 mmol) of 1 H-indazole-3-amine were initially charged in 3 ml of THF, 320 mg (1.46 mmol) of di-tert-butyl dicarbonate, 137 mg (1.35 mmol) of triethylamine and 48 mg (0.39 mmol) of dimethylaminopyridine were then added and the mixture was stirred at RT for 1.5 h. The reaction solution was diluted with ethyl acetate and washed in each case once with water, saturated aqueous ammonium chloride solution and saturated sodium chloride solution. The organic phase was dried over sodium sulphate and filtered and the filtrate was concentrated. The residue was purified by silica gel chromatography (mobile phase:cyclohexane/ethyl acetate 3/i->i/i). This gave 126 mg of the target compound (48percent of theory).10457] LC-MS (Method 2): R=0.88 mm10458] MS (ESpos): mlz=234 (M+H)10459] ‘H-NMR (400 MHz, DMSO-d5): ö=i.58 (s, 9H), 6.30 (s, 2H), 7.25 (t, 1H), 7.50 (t, 1H), 7.82 (d, 1H), 7.94 (d, 1H).
Computed Properties
Molecular Weight:233.27
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:233.116426730
Monoisotopic Mass:233.116426730
Topological Polar Surface Area:70.1
Heavy Atom Count:17
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes