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
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) |
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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