N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide

Basic Information

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CAS Number

1476776-76-7

Molecular Formula

C12H15N3O

Molecular Weight

217.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(C)(C)NC(=O)c1cccc2c1[nH]nc2

InChI

InChI=1S/C12H15N3O/c1-12(2,3)14-11(16)9-6-4-5-8-7-13-15-10(8)9/h4-7H,1-3H3,(H,13,15)(H,14,16)

InChIKey

WRDUXSGUYODZGR-UHFFFAOYSA-N

LogP

2.0911999999999997

Topological Polar Surface Area

57.78 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

272

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

N-叔丁基-1H-吲唑-7-羧酰胺
N-tert-butyl-1H-indazole-7-carboxamide
N-(tert-butyl)-1H-indazole-7-carboxamide
WRDUXSGUYODZGR-UHFFFAOYSA-N
BCP23616
N-t-Butyl-1H-indazole-7-carboxamide
SB16361
N-tert-butyl 1H-Indazole-7-carboxamide
1H-Indazole-7-carboxamide,N-(1,1-dimethylethyl)-

MDL Number

MFCD27987843

FAQ

What are the physical and chemical properties of N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide (CAS: 1476776-76-7)?

N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide (CAS: 1476776-76-7) is a solid crystalline compound with a molecular weight of approximately 266.34 g/mol. It is soluble in solvents like dimethylformamide (DMF) and acetonitrile. The compound is moderately reactive, particularly under acidic conditions. It exhibits good thermal stability up to 250°C and has a pKa of around 4.0. Its high solubility and reactivity make it suitable for various chemical reactions.

How is N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide (CAS: 1476776-76-7) typically synthesized?

N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide is usually synthesized through a multi-step process involving the condensation of indazole-7-carboxylic acid with 2-methyl-2-propanamine. The reaction typically occurs in the presence of a coupling agent like 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC) and N-hydroxysuccinimide (NHS). The yield can be as high as 85% under optimized conditions, and the product is isolated by recrystallization from a suitable solvent.

What industries use N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide (CAS: 1476776-76-7)?

N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide is used in pharmaceuticals for developing new drug candidates due to its potential as an inhibitor of certain enzymes. It also finds applications in the semiconductor industry as a precursor for the synthesis of organic semiconductors. Additionally, it is explored in the polymer and sensor industries for its reactivity and solubility properties.

What precautions should be taken when handling N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide (CAS: 1476776-76-7)?

When handling N-(2-Methyl-2-propanyl)-1H-indazole-7-carboxamide (CAS: 1476776-76-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and laboratory coats. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately using absorbent materials and appropriately disposed of. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.