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129488-10-4

129488-10-4 Structure

129488-10-4 Structure
IdentificationBack Directory
[Name]

1-BOC-5-AMINO-INDAZOLE
[CAS]

129488-10-4
[Synonyms]

1-BOC-5-AMINO-INDAZOLE
N-Boc-5-AMino-Indazole
5-Amino-N-Boc-1H-Indazole
1-Boc-5-Amino-1H-Indazole
N-(1)-BOC-5-AMINO-INDAZOLE
1H-Indazole-1-carboxylicacid
5-Amino-1H-indazole, N1-BOC protected
tert-Butyl 5-aminoindazole-1-carboxylate
tert-butyl 5-aMino-1H-indazol-1-carboxylate
tert-butyl 5-amino-1H-indazole-1-carboxylate
5-Amino-indazole-1-carboxylicacidtert-butyleste
5-AMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
5-Amino-1H-indazol-1-carboxylic acid tert-butyl ester
1H-Indazole-1-carboxylicacid,5-aMino-,1,1-diMethylethylester
5-AMINO-1H-INDAZOLE-1-CARBOXYLIC ACID, 1,1 DIMETHYL ETHYL ESTER
1H-Indazol-5-amine, N1-BOC protected, tert-Butyl 5-amino-1H-indazole-1-carboxylate,5-Amino-1-(tert-butoxycarbonyl)-1H-indazole
[Molecular Formula]

C12H15N3O2
[MDL Number]

MFCD04114656
[MOL File]

129488-10-4.mol
[Molecular Weight]

233.27
Chemical PropertiesBack Directory
[Boiling point ]

395.3±34.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

solid
[pka]

3.08±0.10(Predicted)
[Appearance]

Brown to red Solid
[InChI]

InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,13H2,1-3H3
[InChIKey]

LRSDPIIWOZRHNJ-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)C2=C(C=C(N)C=C2)C=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

tert-Butyl 5-Amino-1H-indazole-1-carboxylate is an intermediate to prepare protein kinase inhibitors.
[Synthesis]

5-Nitroindazole

5401-94-5

1-BOC-5-AMINO-INDAZOLE

129488-10-4

General procedure for the synthesis of 5-amino-N-tert-butoxycarbonylindazole from 5-nitroindazole: 10% Pd-C catalyst (0.054 g, 0.051 mmol in Pd) and the carbamate from Example 105 (2.647 g, 10.1 mmol) were suspended in 95% ethanol, and the system was degassed under reduced pressure and the reaction was carried out under hydrogen atmosphere. After 23 hours of reaction, the solvent was removed using a rotary evaporator. Ethyl acetate (20 mL) was added to the reaction mixture and after filtration, the filtrate was slowly concentrated on a rotary evaporator to give 2.335 g (100% yield) of brown solid product.LC-MS (ESI) m/z 134 [M-Boc + H]+.

[References]

[1] Patent: WO2006/135383, 2006, A2. Location in patent: Page/Page column 123-124
[2] Patent: WO2012/146724, 2012, A2
[3] Patent: US2014/57942, 2014, A1
[4] Patent: WO2014/68035, 2014, A1
[5] Asian Journal of Chemistry, 2014, vol. 26, # 22, p. 7539 - 7543
Spectrum DetailBack Directory
[Spectrum Detail]

1-BOC-5-AMINO-INDAZOLE(129488-10-4)1HNMR
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