ChemicalBook--->CAS DataBase List--->219503-81-8

219503-81-8

219503-81-8 Structure

219503-81-8 Structure
IdentificationBack Directory
[Name]

1-BOC-6-AMINO-INDAZOLE
[CAS]

219503-81-8
[Synonyms]

1-BOC-6-AMINO-INDAZOLE
1-Boc-1H-indazol-6-amine
6-Amino-1H-indazole, N1-BOC
1-Boc-6-amino-1H-indazole,97%
6-Amino-1H-indazole, N1-BOC protected
6-AMINO-1-N-TERT-BUTOXYCARBONYL-1H-INDAZOLE
tert-butyl 6-amino-1H-indazole-1-carboxylate
6-AMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-AMINO-1H-INDAZOLE-1-CARBOXYLIC ACID, 1,1 DIMETHYL ETHYL ESTER
1H-Indazole-1-carboxylic acid, 6-aMino-, 1,1-diMethylethyl ester
tert-Butyl 6-amino-1H-indazole-1-carboxylate, 6-Amino-1-(tert-butoxycarbonyl)-1H-indazole
[Molecular Formula]

C12H15N3O2
[MDL Number]

MFCD04114657
[MOL File]

219503-81-8.mol
[Molecular Weight]

233.27
Chemical PropertiesBack Directory
[Melting point ]

171-172℃
[Boiling point ]

395.3±34.0 °C(Predicted)
[density ]

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

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

powder
[pka]

2.52±0.10(Predicted)
[color ]

Yellow
[Water Solubility ]

Slightlysoluble in water.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

Used in the synthesis of chiral molecules.
[Synthesis]

tert-butyl 6-nitro-1H-indazole-1-carboxylate

219503-74-9

1-BOC-6-AMINO-INDAZOLE

219503-81-8

Step B: Preparation of tert-butyl 6-amino-1H-indazole-1-carboxylate: To a solution of tert-butyl 6-nitro-1H-indazole-1-carboxylate (0.88 g, 3.34 mmol) in methanol (20 mL) was added 10% Pd/C catalyst (0.355 g, 0.334 mmol). After displacing the air in the reaction system with nitrogen, the hydrogenation reaction was carried out under hydrogen (30 psi) atmosphere for 2 hours. After completion of the reaction, the reaction mixture was filtered through GF/F filter paper and the filtrate was concentrated to afford the target product tert-butyl 6-amino-1H-indazole-1-carboxylate (0.76 g, 98% yield). Mass spectrometry analysis (APCI-positive ion mode) showed [M+1]+ peak of 233.8.

[References]

[1] Patent: US2010/63066, 2010, A1. Location in patent: Page/Page column 35
[2] Journal of Medicinal Chemistry, 2002, vol. 45, # 4, p. 944 - 954
[3] Patent: US6372759, 2002, B1
[4] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 13, p. 3821 - 3830
[5] Asian Journal of Chemistry, 2014, vol. 26, # 22, p. 7539 - 7543
Spectrum DetailBack Directory
[Spectrum Detail]

1-BOC-6-AMINO-INDAZOLE(219503-81-8)1HNMR
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