Tert-butyl 4-amino-1H-indazole-1-carboxylate | CAS No. 8016-13-5

Tert-butyl 4-amino-1H-indazole-1-carboxylate

Basic Information

CAS Number

8016-13-5

Molecular Formula

C12H15N3O2

Molecular Weight

233.27 g/mol

AD

Basic Physical Properties

O(C(N1C2C=CC=C(C=2C=N1)N)=O)C(C)(C)C

InChI

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

InChIKey

LBOHJOLQKZNKFB-UHFFFAOYSA-N

LogP

2.4017

Topological Polar Surface Area

70.14 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

301

Synonyms & References

English

  • Fats and Glyceridic oils, fish
  • Oils, fish
  • Promega
  • Oele, Fisch-
  • Krill oil
  • Fish oil
  • Fish Oil (1 g)
  • FISH OIL, USP STANDARD
  • EPA
  • Fish oil DHA
  • Fsh oil
  • tert-butyl 4-amino-1H-indazole-1-carboxylate
  • 1-Boc-4-aminoindazole
  • tert-butyl 4-aminoindazole-1-carboxylate
  • 4-AMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • 1,1-Dimethylethyl 4-amino-1H-indazole-1-carboxylate
  • 4-AMINO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • PB23857
  • 4-Amino-1H-indazole, N1-BOC protected
  • Y5557

FAQ

What are the physical and chemical properties of Tert-butyl 4-amino-1H-indazole-1-carboxylate (CAS: 8016-13-5)?

Tert-butyl 4-amino-1H-indazole-1-carboxylate (CAS: 8016-13-5) is a white to off-white crystalline solid with a molecular weight of approximately 278.4 g/mol. It is slightly soluble in water but soluble in organic solvents like dichloromethane and ethanol. It exhibits good stability under normal conditions but is reactive towards bases and reducing agents.

How is Tert-butyl 4-amino-1H-indazole-1-carboxylate (CAS: 8016-13-5) typically synthesized?

Tert-butyl 4-amino-1H-indazole-1-carboxylate can be synthesized via the coupling of tert-butyl 4-bromomethyl-1H-indazole-1-carboxylate with an amine. The reaction typically requires a base such as potassium carbonate and is performed in an aprotic solvent like N,N-dimethylformamide (DMF) under an inert atmosphere. The yield is generally around 70-80%, with good selectivity towards the desired product.

What industries use Tert-butyl 4-amino-1H-indazole-1-carboxylate (CAS: 8016-13-5)?

Tert-butyl 4-amino-1H-indazole-1-carboxylate (CAS: 8016-13-5) is primarily used in the pharmaceutical industry for the synthesis of drugs. It is also utilized in the chemical industry for the development of new materials, and in the analytical sector for sensor applications due to its functional groups and structural features.

What precautions should be taken when handling Tert-butyl 4-amino-1H-indazole-1-carboxylate (CAS: 8016-13-5)?

When handling Tert-butyl 4-amino-1H-indazole-1-carboxylate (CAS: 8016-13-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately with appropriate absorbents, and the area should be washed down. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed information on safe handling and emergency procedures.

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