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HomeProduct name list1H-indazole-6-carboxylic acid

1H-indazole-6-carboxylic acid

  • CAS NO.:704-91-6
  • Empirical Formula: C8H6N2O2
  • Molecular Weight: 162.15
  • MDL number: MFCD06804571
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-04-23 13:52:06
1H-indazole-6-carboxylic acid Structural

What is 1H-indazole-6-carboxylic acid?

The Uses of 1H-indazole-6-carboxylic acid

1H-Indazole-6-carboxylic Acid is used as a reagent to synthesize azabicyclic aryl amides, which act as α7 nicotinic acetylcholine receptor agonists.

Preparation

Synthesis of 1H-indazole-6-carboxylic acid, H2L3: MeL3Ac (1.0 g; 4.6 mmol) was dissolved in 40 mL THF, and this solution was added to a 40 mL aqueous solution of lithium hydroxide (5.0 g; 210 mmol). The resulting suspension was heated at reflux with vigorous stirring overnight, after which time the solution was concentrated under vacuum to remove the organic phase. The resulting solution was filtered, adjusted to pH 3 with conc. HCl, to precipitate the product as a pale brown solid, which was filtered, washed with water and dried under vacuum. Yield 315 mg, 43%. mp 292–296 °C (decomp);
δH (500 MHz, d6-DMSO): 7.67 (dd, 1H, J = 8.3, 1.0 Hz, H4 ), 7.85 (dd, 1H, J = 8.3, 0.8 Hz, H3 ), 8.15 (s, 1H, H6 ), 8.18 (d, 1H, J = 0.8 Hz, H2 ), 13.24 (br s, 2H, H1 & H5 ); δC (125 MHz, CD3OD): 114.1, 122.0, 122.6, 127.1, 130.6, 135.2, 141.4, 170.4; HRMS-ESI m/z: found: 163.0503; C8H7N2O2 requires: 163.0502 [M + H+ ]; ˉνmax/cm?1 (KBr): 3258 br, 2864 br, 2582 br, 1679 s, 1579 m, 1518 m, 1425 m, 1230 s, 1087 m, 954 s, 857 m, 762 m, 693 m.

Properties of 1H-indazole-6-carboxylic acid

Melting point: 302-307 °C
Boiling point: 443.7±18.0 °C(Predicted)
Density  1.506±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
pka 4.01±0.30(Predicted)
form  Crystalline Powder
color  White to light brown

Safety information for 1H-indazole-6-carboxylic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 1H-indazole-6-carboxylic acid

InChIKey DNCVTVVLMRHJCJ-UHFFFAOYSA-N

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